Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C8H8BrNO2

Suppliers	Catalog Number
Alfa Aesar	H31250
Enamine	EN300-61038

Database	Data ID
PubChem	2728705

M. W.

230.05862

CAS

99848-43-8

Similarity

N/A

ID: 266402

4-(4-methylphenyl)-1H-pyrazole

$$$$ Data

M. F.

C10H10N2

Suppliers	Catalog Number
Enamine	EN300-61039

Database	Data ID
PubChem	5212048

M. W.

158.1998

CAS

Similarity

N/A

ID: 266403

(4-bromo-3-methylphenyl)urea

$$$$ Data

M. F.

C8H9BrN2O

Suppliers	Catalog Number
Enamine	EN300-61040

Database	Data ID
PubChem	54210

M. W.

229.07386

CAS

Similarity

N/A

ID: 266404

1-(2-hydroxyethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

$$$$ Data

M. F.

C10H11N3O3

Suppliers	Catalog Number
Enamine	EN300-61041

Database	Data ID
PubChem	16770755

M. W.

221.21264

CAS

Similarity

N/A

ID: 266405

[2-(morpholin-4-yl)ethyl]urea hydrochloride

$$$$ Data

M. F.

C7H16ClN3O2

Suppliers	Catalog Number
Enamine	EN300-61042

Database	Data ID
PubChem	47002690

M. W.

209.67384

CAS

Similarity

N/A

ID: 266406

3-tert-butyl-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

$$$$ Data

M. F.

C12H15N3O2

Suppliers	Catalog Number
Enamine	EN300-61044

Database	Data ID
PubChem	16773438

M. W.

233.2664

CAS

Similarity

N/A

ID: 266407

4-{[(cyclopropylmethyl)amino]methyl}phenol hydrochloride

$$$$ Data

M. F.

C11H16ClNO

Suppliers	Catalog Number
Enamine	EN300-61045

Database	Data ID
PubChem	47002691

M. W.

213.70384

CAS

Similarity

N/A

ID: 266408

3-{[(cyclopropylmethyl)amino]methyl}phenol

$$$$ Data

M. F.

C11H15NO

Suppliers	Catalog Number
Enamine	EN300-61046

Database	Data ID
PubChem	28431206

M. W.

177.2429

CAS

Similarity

N/A

ID: 266409

3-(1H-imidazol-2-yl)pyridine

$$$$ Data

M. F.

C8H7N3

Suppliers	Catalog Number
ChemBridge	4032611
Enamine	EN300-61048
A&J Pharmtech	AJA-O24544

Database	Data ID
PubChem	12395500

M. W.

145.16128

CAS

13570-00-8

Similarity

N/A

ID: 266410

3-chloro-4-(thiomorpholin-4-yl)aniline

$$$$ Data

M. F.

C10H13ClN2S

Suppliers	Catalog Number
Enamine	EN300-61049

Database	Data ID
PubChem	28786547

M. W.

228.74162

CAS

Similarity

N/A

ID: 266411

1-(2-chlorophenyl)-5-(propan-2-yl)-1H-1,2,4-triazole-3-carboxylic acid

$$$$ Data

M. F.

C12H12ClN3O2

Suppliers	Catalog Number
Enamine	EN300-61050

Database	Data ID
PubChem	43652323

M. W.

265.69558

CAS

Similarity

N/A

ID: 266412

4-(3-cyanopropanesulfonyl)benzoic acid

$$$$ Data

M. F.

C11H11NO4S

Suppliers	Catalog Number
Enamine	EN300-61051

Database	Data ID
PubChem	24703631

M. W.

253.27434

CAS

Similarity

N/A

ID: 266413

2-amino-N-(3-ethylphenyl)acetamide hydrochloride

$$$$ Data

M. F.

C10H15ClN2O

Suppliers	Catalog Number
Enamine	EN300-61052

Database	Data ID
PubChem	47002692

M. W.

214.6919

CAS

Similarity

N/A

ID: 266414

2,3-dihydro-1-benzofuran-2-carbohydrazide

$$$$ Data

M. F.

C9H10N2O2

Suppliers	Catalog Number
Enamine	EN300-61054

Database	Data ID
PubChem	468647

M. W.

178.1879

CAS

Similarity

N/A

ID: 266415

3-[(3-methylphenyl)amino]propanamide

$$$$ Data

M. F.

C10H14N2O

Suppliers	Catalog Number
Enamine	EN300-61055

Database	Data ID
PubChem	43131961

M. W.

178.23096

CAS

Similarity

N/A

ID: 266416

2-[(4-sulfamoylphenyl)formamido]acetic acid

$$$$ Data

M. F.

C9H10N2O5S

Suppliers	Catalog Number
Enamine	EN300-61056

Database	Data ID
PubChem	10467688

M. W.

258.2511

CAS

Similarity

N/A

ID: 266417

1-(2,2-diethoxyethyl)-1H-1,2,3-triazole-4-carboxylic acid

$$$$ Data

M. F.

C9H15N3O4

Suppliers	Catalog Number
Enamine	EN300-61058

Database	Data ID
PubChem	47002694

M. W.

229.2331

CAS

Similarity

N/A

ID: 266418

(2E)-3-[(pyridin-4-ylmethyl)carbamoyl]prop-2-enoic acid

$$$$ Data

M. F.

C10H10N2O3

Suppliers	Catalog Number
Enamine	EN300-61059

Database	Data ID
PubChem	695587

M. W.

206.198

CAS

Similarity

N/A

ID: 266419

2-(aminomethyl)phenol hydrochloride

$$$$ Data

M. F.

C7H10ClNO

Suppliers	Catalog Number
Enamine	EN300-61062

Database	Data ID
PubChem	22058465

M. W.

159.6134

CAS

Similarity

N/A

ID: 266420

1-{3-[(4-acetylpiperazin-1-yl)methyl]-5-chloro-2-hydroxyphenyl}ethan-1-one

$$$$ Data

M. F.

C15H19ClN2O3

Suppliers	Catalog Number
Enamine	EN300-61063

Database	Data ID
PubChem	43792737

M. W.

310.77596

CAS

Similarity

N/A

ID: 266421

1-(2-hydroxy-5-phenylphenyl)ethan-1-one

$$$$ Data

M. F.

C14H12O2

Suppliers	Catalog Number
Enamine	EN300-61064

Database	Data ID
PubChem	12264992

M. W.

212.24388

CAS

Similarity

N/A

ID: 266422

2-[4-(cyclohexylamino)phenyl]acetonitrile

$$$$ Data

M. F.

C14H18N2

Suppliers	Catalog Number
Enamine	EN300-61066

Database	Data ID
PubChem	43722250

M. W.

214.30612

CAS

Similarity

N/A

ID: 266423

2,4-diiodo-5-methoxyaniline

$$$$ Data

M. F.

C7H7I2NO

Suppliers	Catalog Number
Enamine	EN300-61067

Database	Data ID
PubChem	14040292

M. W.

374.94552

CAS

Similarity

N/A

ID: 266424

2-(pyridin-3-ylmethoxy)aniline

$$$$ Data

M. F.

C12H12N2O

Suppliers	Catalog Number
Enamine	EN300-61068

Database	Data ID
PubChem	8027171

M. W.

200.23648

CAS

Similarity

N/A

ID: 266425

6-(methylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-one

$$$$ Data

M. F.

C11H12OS

Suppliers	Catalog Number
Enamine	EN300-61069

Database	Data ID
PubChem	15029834

M. W.

192.27738

CAS

Similarity

N/A

ID: 266426

1-(piperidin-3-ylmethyl)-4-(pyridin-2-yl)piperazine

$$$$ Data

M. F.

C15H24N4

Suppliers	Catalog Number
Enamine	EN300-61071

Database	Data ID
PubChem	43199638

M. W.

260.37786

CAS

Similarity

N/A

ID: 266427

2-[(4-bromo-2-fluorophenyl)methanesulfonyl]acetic acid

$$$$ Data

M. F.

C9H8BrFO4S

Suppliers	Catalog Number
Enamine	EN300-61072

Database	Data ID
PubChem	43438699

M. W.

311.1248232

CAS

Similarity

N/A

ID: 266428

2-chloro-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide

$$$$ Data

M. F.

C13H15ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-61073

Database	Data ID
PubChem	47002695

M. W.

298.7884

CAS

Similarity

N/A

ID: 266429

(4-fluorophenyl)(pyridin-4-yl)methanol

$$$$ Data

M. F.

C12H10FNO

Suppliers	Catalog Number
Enamine	EN300-61075

Database	Data ID
PubChem	11356156

M. W.

203.2123032

CAS

Similarity

N/A

ID: 266430

4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide

$$$$ Data

M. F.

C13H13BrN2O2

Suppliers	Catalog Number
Enamine	EN300-61076

Database	Data ID
PubChem	47002696

M. W.

309.15852

CAS

Similarity

N/A

ID: 266431

4-methylpiperazine-1-carboxamide hydrochloride

$$$$ Data

M. F.

C6H14ClN3O

Suppliers	Catalog Number
Enamine	EN300-61077

Database	Data ID
PubChem	47002697

M. W.

179.64786

CAS

Similarity

N/A

ID: 266432

2-(thiophen-2-ylmethyl)pyrrolidine hydrochloride

$$$$ Data

M. F.

C9H14ClNS

Suppliers	Catalog Number
Enamine	EN300-61078

Database	Data ID
PubChem	47002698

M. W.

203.73216

CAS

Similarity

N/A

ID: 266433

4-(4-cyanophenoxy)benzene-1-sulfonyl chloride

$$$$ Data

M. F.

C13H8ClNO3S

Suppliers	Catalog Number
Enamine	EN300-61079

Database	Data ID
PubChem	22592941

M. W.

293.72552

CAS

Similarity

N/A

ID: 266434

{[5-(2-methylphenyl)thiophen-2-yl]methyl}(propan-2-yl)amine hydrochloride

$$$$ Data

M. F.

C15H20ClNS

Suppliers	Catalog Number
Enamine	EN300-61081

Database	Data ID
PubChem	47002699

M. W.

281.844

CAS

Similarity

N/A

ID: 266435

2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}ethan-1-amine

$$$$ Data

M. F.

C8H11ClN2S

Suppliers	Catalog Number
Enamine	EN300-61082

Database	Data ID
PubChem	43249530

M. W.

202.70434

CAS

Similarity

N/A

ID: 266436

3-(ethylamino)pyrrolidine-2,5-dione

$$$$ Data

M. F.

C6H10N2O2

Suppliers	Catalog Number
Enamine	EN300-61084

Database	Data ID
PubChem	43637675

M. W.

142.1558

CAS

Similarity

N/A

ID: 266437

3-amino-N-methyl-4-(methylamino)benzene-1-sulfonamide

$$$$ Data

M. F.

C8H13N3O2S

Suppliers	Catalog Number
Enamine	EN300-61085

Database	Data ID
PubChem	274142

M. W.

215.27272

CAS

Similarity

N/A

ID: 266438

3-(cyclopropylamino)pyrrolidine-2,5-dione

$$$$ Data

M. F.

C7H10N2O2

Suppliers	Catalog Number
Enamine	EN300-61086

Database	Data ID
PubChem	43637670

M. W.

154.1665

CAS

Similarity

N/A

ID: 266439

1-{4-[2-(dimethylamino)ethoxy]phenyl}ethan-1-one

$$$$ Data

M. F.

C12H17NO2

Suppliers	Catalog Number
Enamine	EN300-61088

Database	Data ID
PubChem	3026305

M. W.

207.26888

CAS

Similarity

N/A

ID: 266440

3-amino-N-benzylpropanamide

$$$$ Data

M. F.

C10H14N2O

Suppliers	Catalog Number
Enamine	EN300-61089

Database	Data ID
PubChem	237967

M. W.

178.23096

CAS

Similarity

N/A

ID: 266441

1-(4-methoxyphenyl)cyclohexan-1-amine

$$$$ Data

M. F.

C13H19NO

Suppliers	Catalog Number
Enamine	EN300-61090

Database	Data ID
PubChem	24273705

M. W.

205.29606

CAS

Similarity

N/A

ID: 266442

4-methyl-1-(piperidin-3-ylmethyl)piperidine

$$$$ Data

M. F.

C12H24N2

Suppliers	Catalog Number
Enamine	EN300-61091

Database	Data ID
PubChem	16767828

M. W.

196.33236

CAS

Similarity

N/A

ID: 266443

3-amino-1-(azepan-1-yl)propan-1-one

$$$$ Data

M. F.

C9H18N2O

Suppliers	Catalog Number
Enamine	EN300-61093

Database	Data ID
PubChem	16791857

M. W.

170.25202

CAS

Similarity

N/A

ID: 266444

N-methyl-N-(pyrrolidin-2-ylmethyl)aniline

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
Enamine	EN300-61096

Database	Data ID
PubChem	13275117

M. W.

190.28472

CAS

Similarity

N/A

ID: 266445

6-bromo-4-oxo-1,4-dihydroquinoline-3-carbonitrile

$$$$ Data

M. F.

C10H5BrN2O

Suppliers	Catalog Number
Enamine	EN300-61097

Database	Data ID
PubChem	23438036

M. W.

249.0635

CAS

Similarity

N/A

ID: 266446

4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine hydrochloride

$$$$ Data

M. F.

C8H15ClN4

Suppliers	Catalog Number
Enamine	EN300-61098

Database	Data ID
PubChem	50988174

M. W.

202.6845

CAS

Similarity

N/A

ID: 266447

1-tert-butyl-6-chloro-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

$$$$ Data

M. F.

C9H11ClN4O

Suppliers	Catalog Number
Enamine	EN300-61101

Database	Data ID
PubChem	47002700

M. W.

226.66284

CAS

Similarity

N/A

ID: 266448

1-tert-butyl-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine

$$$$ Data

M. F.

C9H10Cl2N4

Suppliers	Catalog Number
Enamine	EN300-61102

Database	Data ID
PubChem	47002701

M. W.

245.1085

CAS

Similarity

N/A

ID: 266449

1-tert-butyl-6-chloro-1H,4H,5H-pyrazolo[3,4-d]pyrimidine

$$$$ Data

M. F.

C9H13ClN4

Suppliers	Catalog Number
Enamine	EN300-61103

Database	Data ID
PubChem	47002702

M. W.

212.67932

CAS

Similarity

N/A

ID: 266450

6-chloro-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

$$$$ Data

M. F.

C5H3ClN4O

Suppliers	Catalog Number
Enamine	EN300-61105

Database	Data ID
PubChem	222237

M. W.

170.55652

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