Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C10H18N2O

Suppliers	Catalog Number
ChemBridge	3020468
Matrix Scientific	038575

Database	Data ID
PubChem	12886756

M. W.

182.26272

CAS

99976-77-9

Similarity

N/A

ID: 35802

2-(morpholin-4-yl)ethyl 2-chloroacetate

$$$$ Data

M. F.

C8H14ClNO3

Suppliers	Catalog Number
Matrix Scientific	038576

Database	Data ID
PubChem	1080498

M. W.

207.65466

CAS

Similarity

N/A

ID: 35803

2-(2-ethoxy-2-oxoacetamido)benzoic acid

$$$$ Data

M. F.

C11H11NO5

Suppliers	Catalog Number
Matrix Scientific	038577

Database	Data ID
PubChem	40082

M. W.

237.20874

CAS

51679-85-7

Similarity

N/A

ID: 35804

2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid

$$$$ Data

M. F.

C14H18N4O2S

Suppliers	Catalog Number
ChemBridge	3020469
Matrix Scientific	038578

Database	Data ID
PubChem	3459487

M. W.

306.38332

CAS

421565-56-2

Similarity

N/A

ID: 35805

3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic a...

$$$$ Data

M. F.

C18H17NO4

Suppliers	Catalog Number
Matrix Scientific	038579
InterBioScreen	BB_SC-7673

Database	Data ID
PubChem	5079051

M. W.

311.33188

CAS

Similarity

N/A

ID: 35806

2-(4-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid

$$$$ Data

M. F.

C16H10ClNO3

Suppliers	Catalog Number
Matrix Scientific	038580

Database	Data ID
PubChem	2766381

M. W.

299.7085

CAS

Similarity

N/A

ID: 35807

3-(4-ethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid

$$$$ Data

M. F.

C17H14N2O4

Suppliers	Catalog Number
Matrix Scientific	038581

Database	Data ID
PubChem	3354786

M. W.

310.30406

CAS

Similarity

N/A

ID: 35808

2-[5-(3,4-dimethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetic acid

$$$$ Data

M. F.

C16H14N2O5S

Suppliers	Catalog Number
Matrix Scientific	038582

Database	Data ID
PubChem	733575

M. W.

346.35776

CAS

Similarity

N/A

ID: 35809

5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

$$$$ Data

M. F.

C9H6F3N3O2

Suppliers	Catalog Number
ChemBridge	4035043
Matrix Scientific	038583
Enamine	EN300-83525

Database	Data ID
PubChem	4572525

M. W.

245.1580496

CAS

695191-64-1

Similarity

N/A

ID: 35810

3-(cyclohexylsulfanyl)-5-nitroaniline

$$$$ Data

M. F.

C12H16N2O2S

Suppliers	Catalog Number
Matrix Scientific	038584

Database	Data ID
PubChem	25219811

M. W.

252.33264

CAS

Similarity

N/A

ID: 35811

3-[(4-methylphenyl)sulfanyl]-5-nitroaniline

$$$$ Data

M. F.

C13H12N2O2S

Suppliers	Catalog Number
Matrix Scientific	038585

Database	Data ID
PubChem	843280

M. W.

260.31158

CAS

Similarity

N/A

ID: 35812

3-nitro-5-(propylsulfanyl)aniline

$$$$ Data

M. F.

C9H12N2O2S

Suppliers	Catalog Number
Matrix Scientific	038586

Database	Data ID
PubChem	4327967

M. W.

212.26878

CAS

Similarity

N/A

ID: 35813

3-nitro-5-[(3-phenylpropyl)sulfanyl]aniline

$$$$ Data

M. F.

C15H16N2O2S

Suppliers	Catalog Number
Matrix Scientific	038587

Database	Data ID
PubChem	4327968

M. W.

288.36474

CAS

Similarity

N/A

ID: 35814

tricyclo[4.3.1.1^{3,8}]undecan-3-amine hydrochloride

$$$$ Data

M. F.

C11H20ClN

Suppliers	Catalog Number
Matrix Scientific	038588

Database	Data ID
PubChem	22136454

M. W.

201.7362

CAS

Similarity

N/A

ID: 35815

1-(adamantan-1-yl)pentane-1,4-dione

$$$$ Data

M. F.

C15H22O2

Suppliers	Catalog Number
Matrix Scientific	038589

Database	Data ID
PubChem	23008997

M. W.

234.33398

CAS

Similarity

N/A

ID: 35816

[2-(adamantan-1-yl)ethyl](ethyl)amine

$$$$ Data

M. F.

C14H25N

Suppliers	Catalog Number
Matrix Scientific	038590
Life Chemicals	F1988-0005

Database	Data ID
PubChem	33619

M. W.

207.355

CAS

Similarity

N/A

ID: 35817

4-aminoadamantan-1-ol hydrochloride

$$$$ Data

M. F.

C10H18ClNO

Suppliers	Catalog Number
Matrix Scientific	038591
A&J Pharmtech	AJA-O9441

Database	Data ID
PubChem	2857446

M. W.

203.70902

CAS

62075-23-4

Similarity

N/A

ID: 35818

4-(adamantan-1-yl)-4-aminobutanoic acid

$$$$ Data

M. F.

C14H23NO2

Suppliers	Catalog Number
Matrix Scientific	038592

Database	Data ID
PubChem	2941691

M. W.

237.33792

CAS

Similarity

N/A

ID: 35819

3-(aminomethyl)adamantan-1-ol

$$$$ Data

M. F.

C11H19NO

Suppliers	Catalog Number
Matrix Scientific	038593

Database	Data ID
PubChem	565523

M. W.

181.27466

CAS

Similarity

N/A

ID: 35820

2,3-dihydro-1H-indol-5-amine hydrochloride

$$$$ Data

M. F.

C8H11ClN2

Suppliers	Catalog Number
Matrix Scientific	038594

Database	Data ID
PubChem	56829424

M. W.

170.63934

CAS

32692-19-6

Similarity

N/A

ID: 35821

2-(adamantan-1-yl)pyrrolidine

$$$$ Data

M. F.

C14H23N

Suppliers	Catalog Number
ChemBridge	3020472
Matrix Scientific	038595

Database	Data ID
PubChem	511811

M. W.

205.33912

CAS

180258-96-2

Similarity

N/A

ID: 35822

5-aminoadamantan-2-ol

$$$$ Data

M. F.

C10H17NO

Suppliers	Catalog Number
Matrix Scientific	038596

Database	Data ID
PubChem	6421647

M. W.

167.24808

CAS

Similarity

N/A

ID: 35823

3-(pyrrolidin-1-yl)adamantan-1-ol hydrochloride

$$$$ Data

M. F.

C14H24ClNO

Suppliers	Catalog Number
Matrix Scientific	038597

Database	Data ID
PubChem	2941938

M. W.

257.79946

CAS

Similarity

N/A

ID: 35824

1-(adamantan-1-yl)propan-2-amine

$$$$ Data

M. F.

C13H23N

Suppliers	Catalog Number
ChemBridge	4002778
Matrix Scientific	038598

Database	Data ID
PubChem	38375

M. W.

193.32842

CAS

39978-69-3

Similarity

N/A

ID: 35825

3-(3,4-diethoxyphenyl)-1,2-oxazol-5-amine

$$$$ Data

M. F.

C13H16N2O3

Suppliers	Catalog Number
Matrix Scientific	038599

Database	Data ID
PubChem	5129829

M. W.

248.27774

CAS

Similarity

N/A

ID: 35826

4-(6-chloropyridazin-3-yl)morpholine

$$$$ Data More

M. F.

C8H10ClN3O

Suppliers	Catalog Number
Matrix Scientific	038600
Apollo Scientific	OR11964
Life Chemicals	F0918-1623

Database	Data ID
PubChem	321079

M. W.

199.6375

CAS

17259-32-4

Similarity

N/A

ID: 35827

3-chloro-6-(4-methylpiperazin-1-yl)pyridazine

$$$$ Data More

M. F.

C9H13ClN4

Suppliers	Catalog Number
ChemBridge	4033696
Matrix Scientific	038601
Life Chemicals	F3266-0082

Database	Data ID
PubChem	7098865

M. W.

212.67932

CAS

27464-17-1

Similarity

N/A

ID: 35828

4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]butanoic acid

$$$$ Data

M. F.

C14H16N2O3

Suppliers	Catalog Number
Matrix Scientific	038602

Database	Data ID
PubChem	25219812

M. W.

260.28844

CAS

Similarity

N/A

ID: 35829

methyl 3-amino-5-fluoro-1-methyl-1H-indole-2-carboxylate

$$$$ Data

M. F.

C11H11FN2O2

Suppliers	Catalog Number
Matrix Scientific	038603

Database	Data ID
PubChem	4777686

M. W.

222.2156432

CAS

Similarity

N/A

ID: 35830

3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid

$$$$ Data

M. F.

C13H15NO3

Suppliers	Catalog Number
Matrix Scientific	038604
Key Organics	8L-016

Database	Data ID
PubChem	2764372

M. W.

233.2631

CAS

Similarity

N/A

ID: 35831

3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanoic acid

$$$$ Data

M. F.

C14H17NO3

Suppliers	Catalog Number
ChemBridge	7760041
Matrix Scientific	038605
Key Organics	NA-0808

Database	Data ID
PubChem	13524618

M. W.

247.28968

CAS

180923-81-3

Similarity

N/A

ID: 35832

2-amino-2-(3-bromoadamantan-1-yl)acetic acid

$$$$ Data

M. F.

C12H18BrNO2

Suppliers	Catalog Number
Matrix Scientific	038606
Life Chemicals	F1913-0002

Database	Data ID
PubChem	5161476

M. W.

288.18082

CAS

Similarity

N/A

ID: 35833

ethyl 2-hydrazinyl-4-methyl-1,3-thiazole-5-carboxylate

$$$$ Data

M. F.

C7H11N3O2S

Suppliers	Catalog Number
Matrix Scientific	038607
Life Chemicals	F1920-0016

Database	Data ID
PubChem	748178

M. W.

201.24614

CAS

52481-66-0

Similarity

N/A

ID: 35834

methyl 5-amino-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylate

$$$$ Data

M. F.

C12H12N2O4

Suppliers	Catalog Number
Matrix Scientific	038608

Database	Data ID
PubChem	25219813

M. W.

248.23468

CAS

Similarity

N/A

ID: 35835

methyl 5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-carboxylate

$$$$ Data

M. F.

C17H22N2O6

Suppliers	Catalog Number
Matrix Scientific	038609

Database	Data ID
PubChem	3242551

M. W.

350.36638

CAS

Similarity

N/A

ID: 35836

ethyl 5-amino-3-(3,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylate

$$$$ Data

M. F.

C14H16N2O5

Suppliers	Catalog Number
Matrix Scientific	038610

Database	Data ID
PubChem	25219814

M. W.

292.28724

CAS

Similarity

N/A

ID: 35837

5-amino-3-(4-tert-butylphenyl)-1,2-oxazole-4-carbonitrile

$$$$ Data

M. F.

C14H15N3O

Suppliers	Catalog Number
Matrix Scientific	038611

Database	Data ID
PubChem	25219815

M. W.

241.2884

CAS

Similarity

N/A

ID: 35838

5-amino-3-(furan-2-yl)-1,2-oxazole-4-carbonitrile

$$$$ Data

M. F.

C8H5N3O2

Suppliers	Catalog Number
ChemBridge	3020478
Matrix Scientific	038612

Database	Data ID
PubChem	20975251

M. W.

175.1442

CAS

933219-27-3

Similarity

N/A

ID: 35839

5-amino-3-(4-chlorophenyl)-1,2-oxazole-4-carbonitrile

$$$$ Data

M. F.

C10H6ClN3O

Suppliers	Catalog Number
Matrix Scientific	038613

Database	Data ID
PubChem	20983350

M. W.

219.62714

CAS

Similarity

N/A

ID: 35840

1-(2-methoxyethyl)-5-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C17H21NO4

Suppliers	Catalog Number
Matrix Scientific	038614

Database	Data ID
PubChem	25219816

M. W.

303.35294

CAS

Similarity

N/A

ID: 35841

5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic aci...

$$$$ Data

M. F.

C18H23NO4

Suppliers	Catalog Number
Matrix Scientific	038615

Database	Data ID
PubChem	25219817

M. W.

317.37952

CAS

Similarity

N/A

ID: 35842

{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methanamine

$$$$ Data

M. F.

C15H24N2O

Suppliers	Catalog Number
Matrix Scientific	038616

Database	Data ID
PubChem	24274903

M. W.

248.36386

CAS

Similarity

N/A

ID: 35843

1-methyl-N-(pyridin-2-ylmethyl)piperidin-4-amine

$$$$ Data

M. F.

C12H19N3

Suppliers	Catalog Number
Matrix Scientific	038617

Database	Data ID
PubChem	20787378

M. W.

205.29936

CAS

Similarity

N/A

ID: 35844

1-methyl-N-[2-(pyrrolidin-1-yl)ethyl]piperidin-4-amine

$$$$ Data

M. F.

C12H25N3

Suppliers	Catalog Number
Matrix Scientific	038618

Database	Data ID
PubChem	25219818

M. W.

211.347

CAS

Similarity

N/A

ID: 35845

N-[1-(thiophen-2-yl)ethyl]cyclopentanamine

$$$$ Data

M. F.

C11H17NS

Suppliers	Catalog Number
Matrix Scientific	038619

Database	Data ID
PubChem	25219819

M. W.

195.32438

CAS

Similarity

N/A

ID: 35846

(3-methoxypropyl)[1-(thiophen-2-yl)ethyl]amine

$$$$ Data

M. F.

C10H17NOS

Suppliers	Catalog Number
Matrix Scientific	038620

Database	Data ID
PubChem	25219820

M. W.

199.31308

CAS

Similarity

N/A

ID: 35847

methyl 3-(phenylamino)propanoate

$$$$ Data More

M. F.

C10H13NO2

Suppliers	Catalog Number
Matrix Scientific	038621
Life Chemicals	F2189-0200
InterBioScreen	BB_SC-1542

Database	Data ID
PubChem	89103

M. W.

179.21572

CAS

21911-84-2

Similarity

N/A

ID: 35848

4-(1H-indol-6-yl)-1,3-thiazol-2-amine

$$$$ Data

M. F.

C11H9N3S

Suppliers	Catalog Number
Matrix Scientific	038622

Database	Data ID
PubChem	25219821

M. W.

215.27426

CAS

Similarity

N/A

ID: 35849

4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

$$$$ Data

M. F.

C14H16N2O5

Suppliers	Catalog Number
Matrix Scientific	038623
InterBioScreen	BB_SC-1981

Database	Data ID
PubChem	1838336

M. W.

292.28724

CAS

Similarity

N/A

ID: 35850

4-(piperazin-1-yl)quinazoline

$$$$ Data

M. F.

C12H14N4

Suppliers	Catalog Number
ChemBridge	4003470
Matrix Scientific	038624

Database	Data ID
PubChem	1858533

M. W.

214.26636

CAS

59215-41-7

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified