Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C3H3NOS

Suppliers	Catalog Number
Enamine	EN300-49410

Database	Data ID
PubChem	11228767

M. W.

101.12702

CAS

Similarity

N/A

ID: 260802

6-chloro-1,2,3,4-tetrahydroquinolin-2-one

$$$$ Data

M. F.

C9H8ClNO

Suppliers	Catalog Number
Enamine	EN300-49419
Bide Pharmatech	BD108764

Database	Data ID
PubChem	11240825

M. W.

181.61892

CAS

19358-40-8

Similarity

N/A

ID: 260803

3-phenyl-1,2,4-thiadiazole-5-thiol

$$$$ Data

M. F.

C8H6N2S2

Suppliers	Catalog Number
Enamine	EN300-49426

Database	Data ID
PubChem	2795839

M. W.

194.27664

CAS

Similarity

N/A

ID: 260804

4-methoxybutan-2-one

$$$$ Data

M. F.

C5H10O2

Suppliers	Catalog Number
ChemBridge	4022132
Enamine	EN300-49430
A&J Pharmtech	AJA-O6333

Database	Data ID
PubChem	138889

M. W.

102.1317

CAS

6975-85-5

Similarity

N/A

ID: 260805

1-(chloromethyl)-4-difluoromethanesulfonylbenzene

$$$$ Data

M. F.

C8H7ClF2O2S

Suppliers	Catalog Number
Enamine	EN300-49431

Database	Data ID
PubChem	54592511

M. W.

240.6547864

CAS

Similarity

N/A

ID: 260806

3-methoxy-4-(2,2,2-trifluoroethoxy)benzaldehyde

$$$$ Data

M. F.

C10H9F3O3

Suppliers	Catalog Number
Enamine	EN300-49438

Database	Data ID
PubChem	12647499

M. W.

234.1718696

CAS

Similarity

N/A

ID: 260807

2-hydroxy-5-nitrobenzonitrile

$$$$ Data

M. F.

C7H4N2O3

Suppliers	Catalog Number
Enamine	EN300-49449
Bide Pharmatech	BD210635

Database	Data ID
PubChem	11116377

M. W.

164.11826

CAS

39835-09-1

Similarity

N/A

ID: 260808

4-(methoxycarbonyl)cyclohexane-1-carboxylic acid

$$$$ Data

M. F.

C9H14O4

Suppliers	Catalog Number
Enamine	EN300-49450
A&J Pharmtech	AJA-O14553

Database	Data ID
PubChem	296850

M. W.

186.20506

CAS

15177-67-0

Similarity

N/A

ID: 260809

7-fluoro-2-oxo-1,2-dihydroquinoline-4-carboxylic acid

$$$$ Data

M. F.

C10H6FNO3

Suppliers	Catalog Number
ChemBridge	4003782
Enamine	EN300-49454

Database	Data ID
PubChem	47000627

M. W.

207.1579432

CAS

1227465-79-3

Similarity

N/A

ID: 260810

1-(4-chlorophenyl)-2-methylpropan-1-one

$$$$ Data

M. F.

C10H11ClO

Suppliers	Catalog Number
Enamine	EN300-49459

Database	Data ID
PubChem	72865

M. W.

182.64674

CAS

Similarity

N/A

ID: 260811

2-(2-iodobenzamido)thiophene-3-carboxylic acid

$$$$ Data

M. F.

C12H8INO3S

Suppliers	Catalog Number
Enamine	EN300-49483

Database	Data ID
PubChem	16774011

M. W.

373.16629

CAS

Similarity

N/A

ID: 260812

1-(3-fluoro-4-phenoxyphenyl)ethan-1-one

$$$$ Data

M. F.

C14H11FO2

Suppliers	Catalog Number
Enamine	EN300-49484

Database	Data ID
PubChem	43188695

M. W.

230.2343432

CAS

Similarity

N/A

ID: 260813

methyl 2-[(2-methylphenyl)amino]acetate

$$$$ Data

M. F.

C10H13NO2

Suppliers	Catalog Number
Enamine	EN300-49486

Database	Data ID
PubChem	18793909

M. W.

179.21572

CAS

Similarity

N/A

ID: 260814

N-[(2-methoxyphenyl)methyl]cyclopropanamine

$$$$ Data

M. F.

C11H15NO

Suppliers	Catalog Number
ChemBridge	9070468
Enamine	EN300-49487

Database	Data ID
PubChem	4720410

M. W.

177.2429

CAS

625437-49-2

Similarity

N/A

ID: 260815

(4Z)-5-(bromomethyl)-2,2,6,6-tetramethylhept-4-en-3-one

$$$$ Data

M. F.

C12H21BrO

Suppliers	Catalog Number
Enamine	EN300-49490

Database	Data ID
PubChem	12677706

M. W.

261.19854

CAS

Similarity

N/A

ID: 260816

4-(pyridin-3-ylmethoxy)phenol

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Enamine	EN300-49491

Database	Data ID
PubChem	43143358

M. W.

201.22124

CAS

Similarity

N/A

ID: 260817

1-(oxiran-2-ylmethyl)-1H-pyrazole

$$$$ Data

M. F.

C6H8N2O

Suppliers	Catalog Number
Enamine	EN300-49492

Database	Data ID
PubChem	12603681

M. W.

124.14052

CAS

Similarity

N/A

ID: 260818

(4-aminocyclohexyl)methanol

$$$$ Data

M. F.

C7H15NO

Suppliers	Catalog Number
Enamine	EN300-49496

Database	Data ID
PubChem	424390

M. W.

129.2001

CAS

1504-49-0

Similarity

N/A

ID: 260819

{1-[4-(propan-2-yl)phenyl]ethyl}hydrazine hydrochloride

$$$$ Data

M. F.

C11H19ClN2

Suppliers	Catalog Number
Enamine	EN300-49497

Database	Data ID
PubChem	50988077

M. W.

214.73496

CAS

Similarity

N/A

ID: 260820

(Z)-2,2,2-trifluoro-N-(3-methoxyphenyl)ethenecarbonimidoyl chloride

$$$$ Data

M. F.

C9H7ClF3NO

Suppliers	Catalog Number
Enamine	EN300-49499

Database	Data ID
PubChem	10354164

M. W.

237.6061896

CAS

Similarity

N/A

ID: 260821

(Z)-2,2,2-trifluoro-N-(2-methoxyphenyl)ethenecarbonimidoyl chloride

$$$$ Data

M. F.

C9H7ClF3NO

Suppliers	Catalog Number
Enamine	EN300-49500

Database	Data ID
PubChem	10444178

M. W.

237.6061896

CAS

Similarity

N/A

ID: 260822

(Z)-2,2,2-trifluoro-N-(3-methylphenyl)ethenecarbonimidoyl chloride

$$$$ Data

M. F.

C9H7ClF3N

Suppliers	Catalog Number
Enamine	EN300-49501

Database	Data ID
PubChem	15270077

M. W.

221.6067896

CAS

Similarity

N/A

ID: 260823

(Z)-2,2,2-trifluoro-N-(2-methylphenyl)ethenecarbonimidoyl chloride

$$$$ Data

M. F.

C9H7ClF3N

Suppliers	Catalog Number
Enamine	EN300-49502

Database	Data ID
PubChem	12497700

M. W.

221.6067896

CAS

Similarity

N/A

ID: 260824

(Z)-N-(4-chlorophenyl)-2,2,2-trifluoroethenecarbonimidoyl chloride

$$$$ Data

M. F.

C8H4Cl2F3N

Suppliers	Catalog Number
Enamine	EN300-49503

Database	Data ID
PubChem	10243436

M. W.

242.0252696

CAS

Similarity

N/A

ID: 260825

(E)-N-(2-chlorophenyl)-2,2,2-trifluoroethenecarbonimidoyl chloride

$$$$ Data

M. F.

C8H4Cl2F3N

Suppliers	Catalog Number
Enamine	EN300-49504

Database	Data ID
PubChem	23131658

M. W.

242.0252696

CAS

Similarity

N/A

ID: 260826

(Z)-N-(3-chlorophenyl)-2,2,2-trifluoroethenecarbonimidoyl chloride

$$$$ Data

M. F.

C8H4Cl2F3N

Suppliers	Catalog Number
Enamine	EN300-49505

Database	Data ID
PubChem	10444387

M. W.

242.0252696

CAS

Similarity

N/A

ID: 260827

4-bromo-1-phenyl-5-(trifluoromethyl)-1H-pyrazole

$$$$ Data

M. F.

C10H6BrF3N2

Suppliers	Catalog Number
Enamine	EN300-49506

Database	Data ID
PubChem	10968260

M. W.

291.0672496

CAS

Similarity

N/A

ID: 260828

1-(azidomethyl)-3-fluorobenzene

$$$$ Data

M. F.

C7H6FN3

Suppliers	Catalog Number
ChemBridge	4035526
Enamine	EN300-49507

Database	Data ID
PubChem	43307112

M. W.

151.1410432

CAS

159979-97-2

Similarity

N/A

ID: 260829

2-bromo-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole

$$$$ Data

M. F.

C10H5BrFN3S

Suppliers	Catalog Number
Enamine	EN300-49508

Database	Data ID
PubChem	43159295

M. W.

298.1342032

CAS

Similarity

N/A

ID: 260830

[1-(4-methoxyphenyl)-1H-pyrazol-3-yl]methanamine

$$$$ Data

M. F.

C11H13N3O

Suppliers	Catalog Number
Enamine	EN300-49513

Database	Data ID
PubChem	45791634

M. W.

203.24042

CAS

Similarity

N/A

ID: 260831

3-methanesulfonylpropan-1-amine

$$$$ Data

M. F.

C4H11NO2S

Suppliers	Catalog Number
Enamine	EN300-49519

Database	Data ID
PubChem	21949286

M. W.

137.20064

CAS

Similarity

N/A

ID: 260832

3-ethoxy-4-(pyridin-3-ylmethoxy)benzaldehyde

$$$$ Data

M. F.

C15H15NO3

Suppliers	Catalog Number
Enamine	EN300-49520

Database	Data ID
PubChem	16770274

M. W.

257.2845

CAS

Similarity

N/A

ID: 260833

5-{[3-(dimethylamino)propyl]sulfamoyl}-2-methylbenzoic acid

$$$$ Data

M. F.

C13H20N2O4S

Suppliers	Catalog Number
Enamine	EN300-49521

Database	Data ID
PubChem	29295069

M. W.

300.3739

CAS

Similarity

N/A

ID: 260834

2-bromo-4-fluorobenzohydrazide

$$$$ Data

M. F.

C7H6BrFN2O

Suppliers	Catalog Number
Enamine	EN300-49522

Database	Data ID
PubChem	16780865

M. W.

233.0377432

CAS

Similarity

N/A

ID: 260835

N-[1-(4-chlorophenyl)ethyl]cyclopropanamine hydrochloride

$$$$ Data

M. F.

C11H15Cl2N

Suppliers	Catalog Number
Enamine	EN300-49524

Database	Data ID
PubChem	45791635

M. W.

232.1495

CAS

Similarity

N/A

ID: 260836

ethyl 4-(2-methylphenyl)-2,4-dioxobutanoate

$$$$ Data

M. F.

C13H14O4

Suppliers	Catalog Number
Enamine	EN300-49525

Database	Data ID
PubChem	23005471

M. W.

234.24786

CAS

Similarity

N/A

ID: 260837

4-(furan-2-carbonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid

$$$$ Data

M. F.

C14H11NO5

Suppliers	Catalog Number
Enamine	EN300-49527

Database	Data ID
PubChem	16767544

M. W.

273.24084

CAS

Similarity

N/A

ID: 260838

(4-bromo-2-fluorophenyl)(phenyl)methanamine hydrochloride

$$$$ Data

M. F.

C13H12BrClFN

Suppliers	Catalog Number
Enamine	EN300-49528

Database	Data ID
PubChem	45791636

M. W.

316.5964832

CAS

Similarity

N/A

ID: 260839

(diphenylmethyl)(ethyl)amine hydrochloride

$$$$ Data

M. F.

C15H18ClN

Suppliers	Catalog Number
Enamine	EN300-49532

Database	Data ID
PubChem	45791637

M. W.

247.76312

CAS

Similarity

N/A

ID: 260840

4-{1H-pyrrolo[2,3-b]pyridin-3-yl}piperidine

$$$$ Data

M. F.

C12H15N3

Suppliers	Catalog Number
Enamine	EN300-49533

Database	Data ID
PubChem	5529477

M. W.

201.2676

CAS

149692-82-0

Similarity

N/A

ID: 260841

2-(sulfanylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one

$$$$ Data

M. F.

C9H8N2OS

Suppliers	Catalog Number
Enamine	EN300-49535

Database	Data ID
PubChem	24688802

M. W.

192.23762

CAS

Similarity

N/A

ID: 260842

4-[4-(propan-2-yloxy)phenyl]butan-2-amine

$$$$ Data

M. F.

C13H21NO

Suppliers	Catalog Number
Enamine	EN300-49536

Database	Data ID
PubChem	16787415

M. W.

207.31194

CAS

Similarity

N/A

ID: 260843

1-[(3,4-difluorophenyl)methyl]piperidin-4-amine

$$$$ Data

M. F.

C12H16F2N2

Suppliers	Catalog Number
Enamine	EN300-49538

Database	Data ID
PubChem	18002139

M. W.

226.2656464

CAS

Similarity

N/A

ID: 260844

(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methanamine

$$$$ Data

M. F.

C6H9N3O

Suppliers	Catalog Number
ChemBridge	4015619
Enamine	EN300-49540

Database	Data ID
PubChem	20729516

M. W.

139.15516

CAS

428507-31-7

Similarity

N/A

ID: 260845

4-methyl-1-(piperidin-4-ylmethyl)piperidine

$$$$ Data

M. F.

C12H24N2

Suppliers	Catalog Number
Enamine	EN300-49541

Database	Data ID
PubChem	16767817

M. W.

196.33236

CAS

926259-42-9

Similarity

N/A

ID: 260846

2-isothiocyanato-2-methylpropane

$$$$ Data

M. F.

C5H9NS

Suppliers	Catalog Number
Enamine	EN300-49543

Database	Data ID
PubChem	11544

M. W.

115.19666

CAS

590-42-1

Similarity

N/A

ID: 260847

2-[(furan-2-ylmethyl)amino]-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

$$$$ Data

M. F.

C10H8N4O2S

Suppliers	Catalog Number
Enamine	EN300-49545

Database	Data ID
PubChem	16767802

M. W.

248.26112

CAS

Similarity

N/A

ID: 260848

oxan-3-ylmethanamine

$$$$ Data More

M. F.

C6H13NO

Suppliers	Catalog Number
ChemBridge	4014028
Enamine	EN300-49546
Bide Pharmatech	BD192989

Database	Data ID
PubChem	16761713

M. W.

115.17352

CAS

7179-99-9

Similarity

N/A

ID: 260849

1-benzyl-1H-imidazol-2-amine hydrochloride

$$$$ Data

M. F.

C10H12ClN3

Suppliers	Catalog Number
Enamine	EN300-49548

Database	Data ID
PubChem	45791638

M. W.

209.67538

CAS

Similarity

N/A

ID: 260850

6-bromo-2-methylquinoline-4-carboxylic acid

$$$$ Data

M. F.

C11H8BrNO2

Suppliers	Catalog Number
Enamine	EN300-49563

Database	Data ID
PubChem	305144

M. W.

266.09072

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