Chembase list of 866358 unique molecular structures

1-(naphthalene-1-carbonyl)piperazine hydrochloride

$$$$ Data

M. F.

C15H17ClN2O

Suppliers	Catalog Number
Enamine	EN300-30543

Database	Data ID
PubChem	43810501

M. W.

276.76128

CAS

Similarity

N/A

ID: 254752

3-ethoxy-4-(pyridin-4-ylmethoxy)benzoic acid

$$$$ Data

M. F.

C15H15NO4

Suppliers	Catalog Number
Enamine	EN300-30545

Database	Data ID
PubChem	16228444

M. W.

273.2839

CAS

Similarity

N/A

ID: 254753

1-phenyl-3-(pyridin-2-ylmethyl)urea

$$$$ Data

M. F.

C13H13N3O

Suppliers	Catalog Number
Enamine	EN300-30546

Database	Data ID
PubChem	853198

M. W.

227.26182

CAS

Similarity

N/A

ID: 254754

4-methoxy-3-(pyridin-4-ylmethoxy)benzoic acid

$$$$ Data

M. F.

C14H13NO4

Suppliers	Catalog Number
Enamine	EN300-30547

Database	Data ID
PubChem	16769274

M. W.

259.25732

CAS

Similarity

N/A

ID: 254755

3-ethyl-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

$$$$ Data

M. F.

C8H8N2OS2

Suppliers	Catalog Number
Enamine	EN300-30548

Database	Data ID
PubChem	3531601

M. W.

212.29192

CAS

Similarity

N/A

ID: 254756

3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-5-amine

$$$$ Data

M. F.

C16H15N3O

Suppliers	Catalog Number
Enamine	EN300-30549

Database	Data ID
PubChem	11543518

M. W.

265.3098

CAS

Similarity

N/A

ID: 254757

3-(2-methoxyphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C17H17N3O

Suppliers	Catalog Number
Enamine	EN300-30550

Database	Data ID
PubChem	16769773

M. W.

279.33638

CAS

Similarity

N/A

ID: 254758

4-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-thiazole

$$$$ Data

M. F.

C12H12ClNO2S

Suppliers	Catalog Number
Enamine	EN300-30551

Database	Data ID
PubChem	4961960

M. W.

269.74718

CAS

Similarity

N/A

ID: 254759

3-(3-methoxyphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C17H17N3O

Suppliers	Catalog Number
Enamine	EN300-30552

Database	Data ID
PubChem	16228238

M. W.

279.33638

CAS

Similarity

N/A

ID: 254760

ethyl 4-amino-3-bromobenzoate

$$$$ Data

M. F.

C9H10BrNO2

Suppliers	Catalog Number
Enamine	EN300-30554
Bide Pharmatech	BD29476
A&J Pharmtech	AJA-O6127

Database	Data ID
PubChem	242793

M. W.

244.0852

CAS

7149-03-3

Similarity

N/A

ID: 254761

2,2,2-trifluoroethyl N-(4-cyanophenyl)carbamate

$$$$ Data

M. F.

C10H7F3N2O2

Suppliers	Catalog Number
Enamine	EN300-30556

Database	Data ID
PubChem	28818931

M. W.

244.1699896

CAS

Similarity

N/A

ID: 254762

2,4-dimethyl 3-methyl-5-sulfamoylthiophene-2,4-dicarboxylate

$$$$ Data

M. F.

C9H11NO6S2

Suppliers	Catalog Number
Enamine	EN300-30557

Database	Data ID
PubChem	16228084

M. W.

293.31674

CAS

Similarity

N/A

ID: 254763

methyl 3-(chlorosulfonyl)-4-methylbenzoate

$$$$ Data

M. F.

C9H9ClO4S

Suppliers	Catalog Number
Enamine	EN300-30560

Database	Data ID
PubChem	15923429

M. W.

248.68336

CAS

372198-41-9

Similarity

N/A

ID: 254764

2-bromo-4-methylbenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C7H6BrClO2S

Suppliers	Catalog Number
Enamine	EN300-30562

Database	Data ID
PubChem	13394535

M. W.

269.54334

CAS

89794-06-9

Similarity

N/A

ID: 254765

{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}(propan-2-yl)amine hydrochlorid...

$$$$ Data

M. F.

C12H15Cl2N3O

Suppliers	Catalog Number
Enamine	EN300-30563

Database	Data ID
PubChem	24245125

M. W.

288.173

CAS

Similarity

N/A

ID: 254766

2-methyl-2-phenyl-1-(piperazin-1-yl)propan-1-one hydrochloride

$$$$ Data

M. F.

C14H21ClN2O

Suppliers	Catalog Number
Enamine	EN300-30566

Database	Data ID
PubChem	43810502

M. W.

268.78234

CAS

Similarity

N/A

ID: 254767

2-amino-N-cyclopropylbenzene-1-sulfonamide hydrochloride

$$$$ Data

M. F.

C9H13ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-30568

Database	Data ID
PubChem	42941919

M. W.

248.72972

CAS

Similarity

N/A

ID: 254768

3-(pyridine-4-amido)benzoic acid

$$$$ Data

M. F.

C13H10N2O3

Suppliers	Catalog Number
Enamine	EN300-30569

Database	Data ID
PubChem	4135656

M. W.

242.2301

CAS

Similarity

N/A

ID: 254769

[4-(1H-pyrazol-1-ylmethyl)phenyl]methanamine

$$$$ Data

M. F.

C11H13N3

Suppliers	Catalog Number
Enamine	EN300-30570

Database	Data ID
PubChem	7131579

M. W.

187.24102

CAS

Similarity

N/A

ID: 254770

1-(pyrimidin-2-yl)pyrrolidine-2-carboxylic acid

$$$$ Data

M. F.

C9H11N3O2

Suppliers	Catalog Number
Enamine	EN300-30573

Database	Data ID
PubChem	656362

M. W.

193.20254

CAS

Similarity

N/A

ID: 254771

3-amino-1,1,1-trifluoro-3-phenylpropan-2-ol hydrochloride

$$$$ Data

M. F.

C9H11ClF3NO

Suppliers	Catalog Number
Enamine	EN300-30576

Database	Data ID
PubChem	42933722

M. W.

241.6379496

CAS

Similarity

N/A

ID: 254772

3,5-bis(trifluoromethyl)cyclohexan-1-amine

$$$$ Data

M. F.

C8H11F6N

Suppliers	Catalog Number
Enamine	EN300-30577

Database	Data ID
PubChem	16228797

M. W.

235.1700592

CAS

Similarity

N/A

ID: 254773

3-(3-bromo-4-methoxyphenyl)propanoic acid

$$$$ Data

M. F.

C10H11BrO3

Suppliers	Catalog Number
Enamine	EN300-30579

Database	Data ID
PubChem	4547608

M. W.

259.09654

CAS

Similarity

N/A

ID: 254774

5-cyano-6-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid

$$$$ Data

M. F.

C8H6N2O3S

Suppliers	Catalog Number
Enamine	EN300-30580

Database	Data ID
PubChem	659996

M. W.

210.20984

CAS

Similarity

N/A

ID: 254775

4-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid

$$$$ Data

M. F.

C9H7FO2S

Suppliers	Catalog Number
Enamine	EN300-30581

Database	Data ID
PubChem	16228647

M. W.

198.2140832

CAS

Similarity

N/A

ID: 254776

1-{[5-(2-fluorophenyl)thiophen-2-yl]methyl}piperazine

$$$$ Data

M. F.

C15H17FN2S

Suppliers	Catalog Number
Enamine	EN300-30582

Database	Data ID
PubChem	28818943

M. W.

276.3722832

CAS

Similarity

N/A

ID: 254777

(2E)-3-(dichloro-1,3-thiazol-5-yl)-1-phenylprop-2-en-1-one

$$$$ Data

M. F.

C12H7Cl2NOS

Suppliers	Catalog Number
Enamine	EN300-30583

Database	Data ID
PubChem	28818944

M. W.

284.16108

CAS

Similarity

N/A

ID: 254778

2-(dimethylamino)-3-(4-methylphenyl)-3H-thieno[2,3-d]imidazole-5-carboxylic acid

$$$$ Data

M. F.

C15H15N3O2S

Suppliers	Catalog Number
Enamine	EN300-30584

Database	Data ID
PubChem	28818945

M. W.

301.3635

CAS

Similarity

N/A

ID: 254779

1,1-dioxo-1λ⁶-thiolane-3-carbonitrile

$$$$ Data

M. F.

C5H7NO2S

Suppliers	Catalog Number
ChemBridge	4035545
Enamine	EN300-30588

Database	Data ID
PubChem	16449568

M. W.

145.17958

CAS

17389-09-2

Similarity

N/A

ID: 254780

7-cyclopropyl-2,4-dioxo-1-propyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxyli...

$$$$ Data

M. F.

C14H15N3O4

Suppliers	Catalog Number
Enamine	EN300-30589

Database	Data ID
PubChem	28743112

M. W.

289.2866

CAS

Similarity

N/A

ID: 254781

1-[5-(2-bromophenyl)thiophen-2-yl]ethan-1-one

$$$$ Data

M. F.

C12H9BrOS

Suppliers	Catalog Number
Enamine	EN300-30590

Database	Data ID
PubChem	28818946

M. W.

281.16826

CAS

Similarity

N/A

ID: 254782

1-{[5-(2-chlorophenyl)thiophen-2-yl]methyl}piperazine

$$$$ Data

M. F.

C15H17ClN2S

Suppliers	Catalog Number
Enamine	EN300-30593

Database	Data ID
PubChem	28818948

M. W.

292.82688

CAS

Similarity

N/A

ID: 254783

3-methyl-4H-pyrido[2,1-c][1,2,4]triazin-4-one

$$$$ Data

M. F.

C8H7N3O

Suppliers	Catalog Number
Enamine	EN300-30597

Database	Data ID
PubChem	43810503

M. W.

161.16068

CAS

Similarity

N/A

ID: 254784

(2E)-3-(7-chloroquinolin-2-yl)prop-2-enoic acid

$$$$ Data

M. F.

C12H8ClNO2

Suppliers	Catalog Number
Enamine	EN300-30598

Database	Data ID
PubChem	12324256

M. W.

233.65042

CAS

Similarity

N/A

ID: 254785

7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid

$$$$ Data

M. F.

C10H8N2O3

Suppliers	Catalog Number
Enamine	EN300-30599

Database	Data ID
PubChem	8768162

M. W.

204.18212

CAS

Similarity

N/A

ID: 254786

methyl 3-methyl-5-[(phenoxycarbonyl)amino]-1,2-thiazole-4-carboxylate

$$$$ Data

M. F.

C13H12N2O4S

Suppliers	Catalog Number
Enamine	EN300-30600

Database	Data ID
PubChem	2465961

M. W.

292.31038

CAS

Similarity

N/A

ID: 254787

1-(furan-3-carbonyl)piperidine-3-carboxylic acid

$$$$ Data

M. F.

C11H13NO4

Suppliers	Catalog Number
Enamine	EN300-30603

Database	Data ID
PubChem	3476643

M. W.

223.22522

CAS

Similarity

N/A

ID: 254788

N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

$$$$ Data

M. F.

C11H16ClN

Suppliers	Catalog Number
Enamine	EN300-30607

Database	Data ID
PubChem	43810504

M. W.

197.70444

CAS

Similarity

N/A

ID: 254789

3-cyclopentylpropan-1-amine

$$$$ Data

M. F.

C8H17N

Suppliers	Catalog Number
ChemBridge	4012706
Enamine	EN300-30610

Database	Data ID
PubChem	22237512

M. W.

127.22728

CAS

6053-58-3

Similarity

N/A

ID: 254790

3-(4-fluorophenoxy)propan-1-ol

$$$$ Data

M. F.

C9H11FO2

Suppliers	Catalog Number
Enamine	EN300-30613

Database	Data ID
PubChem	13691211

M. W.

170.1808432

CAS

Similarity

N/A

ID: 254791

1-[(4-aminophenyl)methyl]pyrrolidine-2,5-dione

$$$$ Data

M. F.

C11H12N2O2

Suppliers	Catalog Number
Enamine	EN300-30616

Database	Data ID
PubChem	16772778

M. W.

204.22518

CAS

Similarity

N/A

ID: 254792

3-[(4-aminophenyl)methyl]imidazolidine-2,4-dione

$$$$ Data

M. F.

C10H11N3O2

Suppliers	Catalog Number
Enamine	EN300-30617

Database	Data ID
PubChem	10655843

M. W.

205.21324

CAS

Similarity

N/A

ID: 254793

(2E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoic acid

$$$$ Data

M. F.

C13H13NO3

Suppliers	Catalog Number
Enamine	EN300-30618

Database	Data ID
PubChem	28760321

M. W.

231.24722

CAS

Similarity

N/A

ID: 254794

4-[(methylamino)methyl]benzamide hydrochloride

$$$$ Data

M. F.

C9H13ClN2O

Suppliers	Catalog Number
Enamine	EN300-30620

Database	Data ID
PubChem	43810505

M. W.

200.66532

CAS

Similarity

N/A

ID: 254795

4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]benzene-1-sulfonamide

$$$$ Data

M. F.

C13H21N3O2S

Suppliers	Catalog Number
Enamine	EN300-30621

Database	Data ID
PubChem	13537216

M. W.

283.38974

CAS

Similarity

N/A

ID: 254796

4-[(cyclopropylamino)methyl]benzamide hydrochloride

$$$$ Data

M. F.

C11H15ClN2O

Suppliers	Catalog Number
Enamine	EN300-30622

Database	Data ID
PubChem	43810506

M. W.

226.7026

CAS

Similarity

N/A

ID: 254797

2-amino-N-ethylbenzene-1-sulfonamide

$$$$ Data

M. F.

C8H12N2O2S

Suppliers	Catalog Number
Enamine	EN300-30623
Bide Pharmatech	BD229419

Database	Data ID
PubChem	16785721

M. W.

200.25808

CAS

98489-77-1

Similarity

N/A

ID: 254798

(2E)-3-(4-carbamoylphenyl)prop-2-enoic acid

$$$$ Data

M. F.

C10H9NO3

Suppliers	Catalog Number
Enamine	EN300-30625

Database	Data ID
PubChem	28810191

M. W.

191.18336

CAS

Similarity

N/A

ID: 254799

4-methyl-5-[2-(methylamino)acetyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one...

$$$$ Data

M. F.

C13H18ClN3O2

Suppliers	Catalog Number
Enamine	EN300-30627

Database	Data ID
PubChem	43810507

M. W.

283.75392

CAS

Similarity

N/A

ID: 254800

3-(3,4-dimethylphenoxy)propanoic acid

$$$$ Data

M. F.

C11H14O3

Suppliers	Catalog Number
Enamine	EN300-30628

Database	Data ID
PubChem	13522478

M. W.

194.22706

CAS

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