Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C12H8N2O2

Suppliers	Catalog Number
Enamine	EN300-27409

Database	Data ID
PubChem	2270952

M. W.

212.20412

CAS

Similarity

N/A

ID: 253602

1-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}ethan-1-amine

$$$$ Data

M. F.

C7H12N4

Suppliers	Catalog Number
Enamine	EN300-27410

Database	Data ID
PubChem	16227920

M. W.

152.19698

CAS

Similarity

N/A

ID: 253603

2-{[(2-bromophenyl)methyl]amino}acetic acid

$$$$ Data

M. F.

C9H10BrNO2

Suppliers	Catalog Number
Enamine	EN300-27411

Database	Data ID
PubChem	16227921

M. W.

244.0852

CAS

Similarity

N/A

ID: 253604

(2-chlorophenyl)(4-chlorophenyl)methanone

$$$$ Data

M. F.

C13H8Cl2O

Suppliers	Catalog Number
Enamine	EN300-27412
Bide Pharmatech	BD217025

Database	Data ID
PubChem	66558

M. W.

251.10802

CAS

85-29-0

Similarity

N/A

ID: 253605

4-(1H-imidazol-2-yl)-1,2-dihydrophthalazin-1-one

$$$$ Data

M. F.

C11H8N4O

Suppliers	Catalog Number
Enamine	EN300-27413

Database	Data ID
PubChem	5392714

M. W.

212.20742

CAS

57594-20-4

Similarity

N/A

ID: 253606

3-fluoro-4-(1H-pyrazol-1-yl)benzaldehyde

$$$$ Data

M. F.

C10H7FN2O

Suppliers	Catalog Number
Enamine	EN300-27420

Database	Data ID
PubChem	16227922

M. W.

190.1737832

CAS

433920-88-8

Similarity

N/A

ID: 253607

(6E)-1-phenyl-6-(phenylmethylidene)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxyl...

$$$$ Data

M. F.

C20H16N2O2

Suppliers	Catalog Number
Enamine	EN300-27421

Database	Data ID
PubChem	16227923

M. W.

316.35324

CAS

Similarity

N/A

ID: 253608

1-[2-(1H-pyrazol-1-yl)phenyl]ethan-1-one

$$$$ Data

M. F.

C11H10N2O

Suppliers	Catalog Number
Enamine	EN300-27422

Database	Data ID
PubChem	13780884

M. W.

186.2099

CAS

Similarity

N/A

ID: 253609

3-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)oxy]propanoic acid

$$$$ Data

M. F.

C12H13NO4

Suppliers	Catalog Number
Enamine	EN300-27424

Database	Data ID
PubChem	12819275

M. W.

235.23592

CAS

Similarity

N/A

ID: 253610

3-[2-(pyridin-2-yl)ethynyl]aniline

$$$$ Data

M. F.

C13H10N2

Suppliers	Catalog Number
Enamine	EN300-27425

Database	Data ID
PubChem	16227925

M. W.

194.2319

CAS

Similarity

N/A

ID: 253611

10-methyl-1H,2H,3H,4H-benzo[b]1,6-naphthyridin-1-one

$$$$ Data

M. F.

C13H12N2O

Suppliers	Catalog Number
Enamine	EN300-27426

Database	Data ID
PubChem	16227926

M. W.

212.24718

CAS

Similarity

N/A

ID: 253612

1-(3,5-dichlorophenyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C14H8Cl2N2O2S

Suppliers	Catalog Number
Enamine	EN300-27427

Database	Data ID
PubChem	16227927

M. W.

339.19652

CAS

Similarity

N/A

ID: 253613

1-(3-chlorophenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C14H9ClN2O3

Suppliers	Catalog Number
Enamine	EN300-27428

Database	Data ID
PubChem	16227928

M. W.

288.68586

CAS

Similarity

N/A

ID: 253614

N-{1-[(4-chlorophenyl)methyl]piperidin-4-ylidene}hydroxylamine

$$$$ Data

M. F.

C12H15ClN2O

Suppliers	Catalog Number
Enamine	EN300-27429

Database	Data ID
PubChem	12641825

M. W.

238.7133

CAS

Similarity

N/A

ID: 253615

2-(1H-pyrazol-1-yl)pyridine-4-carbonitrile

$$$$ Data

M. F.

C9H6N4

Suppliers	Catalog Number
Enamine	EN300-27430

Database	Data ID
PubChem	16227929

M. W.

170.17074

CAS

Similarity

N/A

ID: 253616

3-chloro-5-(trichloroacetyl)-1H-pyrrole-2-sulfonyl chloride

$$$$ Data

M. F.

C6H2Cl5NO3S

Suppliers	Catalog Number
Enamine	EN300-27431

Database	Data ID
PubChem	16227930

M. W.

345.41498

CAS

Similarity

N/A

ID: 253617

methyl 3-(diethylamino)propanoate

$$$$ Data

M. F.

C8H17NO2

Suppliers	Catalog Number
Enamine	EN300-27432

Database	Data ID
PubChem	219165

M. W.

159.22608

CAS

5351-01-9

Similarity

N/A

ID: 253618

2-[(1,3-thiazol-4-ylmethyl)sulfanyl]benzoic acid

$$$$ Data

M. F.

C11H9NO2S2

Suppliers	Catalog Number
Enamine	EN300-27435

Database	Data ID
PubChem	16227931

M. W.

251.32466

CAS

Similarity

N/A

ID: 253619

4-[(1,3-thiazol-4-ylmethyl)sulfanyl]benzoic acid

$$$$ Data

M. F.

C11H9NO2S2

Suppliers	Catalog Number
Enamine	EN300-27437

Database	Data ID
PubChem	16227932

M. W.

251.32466

CAS

Similarity

N/A

ID: 253620

(E)-[(2-methoxyphenyl)methylidene](methyl)amine

$$$$ Data

M. F.

C9H11NO

Suppliers	Catalog Number
Enamine	EN300-27442

Database	Data ID
PubChem	136904

M. W.

149.18974

CAS

1125-90-2

Similarity

N/A

ID: 253621

3-(2-phenylethynyl)aniline

$$$$ Data

M. F.

C14H11N

Suppliers	Catalog Number
Enamine	EN300-27443

Database	Data ID
PubChem	13431773

M. W.

193.24384

CAS

Similarity

N/A

ID: 253622

quinolin-2-ylmethyl acetate

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Enamine	EN300-27444

Database	Data ID
PubChem	273161

M. W.

201.22124

CAS

60483-07-0

Similarity

N/A

ID: 253623

4-[(propan-2-yl)amino]butanoic acid hydrochloride

$$$$ Data

M. F.

C7H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-27445

Database	Data ID
PubChem	17567359

M. W.

181.66044

CAS

Similarity

N/A

ID: 253624

3-[(propan-2-yl)amino]propanoic acid hydrochloride

$$$$ Data

M. F.

C6H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-27446

Database	Data ID
PubChem	17567358

M. W.

167.63386

CAS

Similarity

N/A

ID: 253625

potassium {4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}sulfanide

$$$$ Data

M. F.

C8H8KN3S2

Suppliers	Catalog Number
Enamine	EN300-27447

Database	Data ID
PubChem	43810460

M. W.

249.39752

CAS

Similarity

N/A

ID: 253626

3,3-dimethyl-2-oxobutyl 2-fluorobenzoate

$$$$ Data

M. F.

C13H15FO3

Suppliers	Catalog Number
Enamine	EN300-27452

Database	Data ID
PubChem	17499425

M. W.

238.2548032

CAS

Similarity

N/A

ID: 253627

decahydropyrrolo[3,4-b]pyrrolizine

$$$$ Data

M. F.

C9H16N2

Suppliers	Catalog Number
Enamine	EN300-27453

Database	Data ID
PubChem	16227934

M. W.

152.23674

CAS

Similarity

N/A

ID: 253628

decahydro-1H-pyrrolo[3,4-b]indolizine

$$$$ Data

M. F.

C10H18N2

Suppliers	Catalog Number
Enamine	EN300-27454

Database	Data ID
PubChem	16227935

M. W.

166.26332

CAS

Similarity

N/A

ID: 253629

1-methyl-octahydropyrrolo[2,3-c]pyrrole

$$$$ Data

M. F.

C7H14N2

Suppliers	Catalog Number
Enamine	EN300-27455

Database	Data ID
PubChem	15070001

M. W.

126.19946

CAS

Similarity

N/A

ID: 253630

5-ethyl-4-nitro-1H-pyrazole-3-carboxamide

$$$$ Data

M. F.

C6H8N4O3

Suppliers	Catalog Number
Enamine	EN300-27456

Database	Data ID
PubChem	11446737

M. W.

184.15272

CAS

Similarity

N/A

ID: 253631

4-(aminomethyl)pyrimidin-2-amine dihydrochloride

$$$$ Data

M. F.

C5H10Cl2N4

Suppliers	Catalog Number
Enamine	EN300-27457

Database	Data ID
PubChem	22108059

M. W.

197.0657

CAS

Similarity

N/A

ID: 253632

4-[(1E)-(hydroxyimino)methyl]pyrimidin-2-amine

$$$$ Data

M. F.

C5H6N4O

Suppliers	Catalog Number
Enamine	EN300-27458

Database	Data ID
PubChem	16227937

M. W.

138.12734

CAS

Similarity

N/A

ID: 253633

2-(3-aminophenoxy)acetamide

$$$$ Data

M. F.

C8H10N2O2

Suppliers	Catalog Number
Enamine	EN300-27461

Database	Data ID
PubChem	10487252

M. W.

166.1772

CAS

Similarity

N/A

ID: 253634

3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid

$$$$ Data

M. F.

C11H10N2O4

Suppliers	Catalog Number
Enamine	EN300-27465

Database	Data ID
PubChem	16227940

M. W.

234.2081

CAS

Similarity

N/A

ID: 253635

4-(4-fluorophenoxy)butanoic acid

$$$$ Data

M. F.

C10H11FO3

Suppliers	Catalog Number
Enamine	EN300-27466

Database	Data ID
PubChem	12243560

M. W.

198.1909432

CAS

1549-77-5

Similarity

N/A

ID: 253636

2-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)oxy]acetic acid

$$$$ Data

M. F.

C11H11NO4

Suppliers	Catalog Number
Enamine	EN300-27468

Database	Data ID
PubChem	12819282

M. W.

221.20934

CAS

58898-54-7

Similarity

N/A

ID: 253637

3-amino-2-(thiophen-3-ylmethyl)propan-1-ol

$$$$ Data

M. F.

C8H13NOS

Suppliers	Catalog Number
ChemBridge	4041383
Enamine	EN300-27469

Database	Data ID
PubChem	16227941

M. W.

171.25992

CAS

929974-90-3

Similarity

N/A

ID: 253638

trimethylthieno[2,3-d]pyrimidine-6-carboxylic acid

$$$$ Data

M. F.

C10H10N2O2S

Suppliers	Catalog Number
Enamine	EN300-27470

Database	Data ID
PubChem	16227942

M. W.

222.2636

CAS

Similarity

N/A

ID: 253639

ethyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

$$$$ Data

M. F.

C11H13N3O2S

Suppliers	Catalog Number
Enamine	EN300-27471

Database	Data ID
PubChem	16227943

M. W.

251.30482

CAS

Similarity

N/A

ID: 253640

1-benzyl-3-(2-chloroacetyl)imidazolidin-2-one

$$$$ Data

M. F.

C12H13ClN2O2

Suppliers	Catalog Number
Enamine	EN300-27474

Database	Data ID
PubChem	16227944

M. W.

252.69682

CAS

Similarity

N/A

ID: 253641

2-[4-(1H-pyrazol-1-ylmethyl)phenyl]benzoic acid

$$$$ Data

M. F.

C17H14N2O2

Suppliers	Catalog Number
Enamine	EN300-27475

Database	Data ID
PubChem	16227945

M. W.

278.30526

CAS

Similarity

N/A

ID: 253642

2-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetic acid

$$$$ Data

M. F.

C8H7N3O3

Suppliers	Catalog Number
Enamine	EN300-27476

Database	Data ID
PubChem	22110104

M. W.

193.15948

CAS

Similarity

N/A

ID: 253643

N-methyl-2-{[(methylcarbamoyl)methyl]amino}benzamide

$$$$ Data

M. F.

C11H15N3O2

Suppliers	Catalog Number
Enamine	EN300-27477

Database	Data ID
PubChem	16227946

M. W.

221.2557

CAS

Similarity

N/A

ID: 253644

4-(2-amino-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide

$$$$ Data

M. F.

C8H8N4OS

Suppliers	Catalog Number
Enamine	EN300-27478

Database	Data ID
PubChem	16227947

M. W.

208.24032

CAS

Similarity

N/A

ID: 253645

7-nitro-2,3-dihydro-1H-isoindol-1-one

$$$$ Data

M. F.

C8H6N2O3

Suppliers	Catalog Number
Enamine	EN300-27479
A&J Pharmtech	AJA-O21963

Database	Data ID
PubChem	16227948

M. W.

178.14484

CAS

169044-97-7

Similarity

N/A

ID: 253646

4-(2-amino-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid

$$$$ Data

M. F.

C8H7N3O2S

Suppliers	Catalog Number
Enamine	EN300-27480

Database	Data ID
PubChem	16227949

M. W.

209.22508

CAS

Similarity

N/A

ID: 253647

methyl 4-(2-amino-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylate

$$$$ Data

M. F.

C9H9N3O2S

Suppliers	Catalog Number
Enamine	EN300-27481

Database	Data ID
PubChem	16227950

M. W.

223.25166

CAS

Similarity

N/A

ID: 253648

3-fluoro-4-(1H-1,2,4-triazol-1-yl)benzaldehyde

$$$$ Data

M. F.

C9H6FN3O

Suppliers	Catalog Number
Enamine	EN300-27484

Database	Data ID
PubChem	16227952

M. W.

191.1618432

CAS

Similarity

N/A

ID: 253649

3-fluoro-4-(1H-imidazol-1-yl)benzaldehyde

$$$$ Data

M. F.

C10H7FN2O

Suppliers	Catalog Number
Enamine	EN300-27486

Database	Data ID
PubChem	16227953

M. W.

190.1737832

CAS

Similarity

N/A

ID: 253650

N-[(4E)-3,4-dihydro-2H-1-benzopyran-4-ylidene]hydroxylamine

$$$$ Data

M. F.

C9H9NO2

Suppliers	Catalog Number
Enamine	EN300-27487

Database	Data ID
PubChem	9673039

M. W.

163.17326

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