Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C8H4FNO2

Suppliers	Catalog Number
Bide Pharmatech	BD215233

Database	Data ID
PubChem	23450337

M. W.

165.1212632

CAS

219519-77-4

Similarity

N/A

ID: 294852

ethyl 5-bromo-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C6H7BrN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD221740

Database	Data ID
PubChem	56956185

M. W.

219.03598

CAS

1392208-46-6

Similarity

N/A

ID: 294853

4,6-dichloro-1,2-dihydropyridin-2-one

$$$$ Data

M. F.

C5H3Cl2NO

Suppliers	Catalog Number
Bide Pharmatech	BD227699

Database	Data ID
PubChem	21758122

M. W.

163.98942

CAS

68963-75-7

Similarity

N/A

ID: 294854

(1r,4r)-4-(morpholin-4-yl)cyclohexan-1-ol

$$$$ Data

M. F.

C10H19NO2

Suppliers	Catalog Number
Bide Pharmatech	BD228100

Database	Data ID
PubChem	58205557

M. W.

185.26336

CAS

1228947-14-5

Similarity

N/A

ID: 294855

2-amino-4-fluoro-6-methylphenol

$$$$ Data

M. F.

C7H8FNO

Suppliers	Catalog Number
Bide Pharmatech	BD228690

Database	Data ID
PubChem	15675952

M. W.

141.1429232

CAS

133788-81-5

Similarity

N/A

ID: 294856

2-tert-butyl-5-nitro-1H-indole

$$$$ Data

M. F.

C12H14N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD234679

Database	Data ID
PubChem	10584913

M. W.

218.25176

CAS

174274-85-2

Similarity

N/A

ID: 294857

5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

$$$$ Data

M. F.

C7H6N2O

Suppliers	Catalog Number
Bide Pharmatech	BD235488

Database	Data ID
PubChem	10396890

M. W.

134.13534

CAS

40107-93-5

Similarity

N/A

ID: 294858

2-(6-bromopyridin-2-yl)propan-2-ol

$$$$ Data

M. F.

C8H10BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD236674

Database	Data ID
PubChem	22714301

M. W.

216.0751

CAS

638218-78-7

Similarity

N/A

ID: 294859

3-(2-chloropyrimidin-4-yl)-1H-indole

$$$$ Data

M. F.

C12H8ClN3

Suppliers	Catalog Number
Bide Pharmatech	BD237368

Database	Data ID
PubChem	59743428

M. W.

229.66502

CAS

945016-63-7

Similarity

N/A

ID: 294860

methyl 2-amino-5-methyl-4-(trifluoromethyl)benzoate

$$$$ Data

M. F.

C10H10F3NO2

Suppliers	Catalog Number
Bide Pharmatech	BD249768

Database	Data ID
PubChem	53436881

M. W.

233.1871096

CAS

872624-53-8

Similarity

N/A

ID: 294861

1-{5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl}ethan-1-one

$$$$ Data

M. F.

C9H7BrN2O

Suppliers	Catalog Number
Bide Pharmatech	BD252260

Database	Data ID
PubChem	59699914

M. W.

239.06868

CAS

866545-96-2

Similarity

N/A

ID: 294862

[4-(1-hydroxyethyl)phenyl]boronic acid

$$$$ Data

M. F.

C8H11BO3

Suppliers	Catalog Number
Bide Pharmatech	BD255745

Database	Data ID
PubChem	9855568

M. W.

165.98214

CAS

518336-20-4

Similarity

N/A

ID: 294863

1,1-dioxo-1λ⁶-thietane-3-carboxylic acid

$$$$ Data

M. F.

C4H6O4S

Suppliers	Catalog Number
Bide Pharmatech	BD257644

Database	Data ID
PubChem	24864054

M. W.

150.15304

CAS

13129-21-0

Similarity

N/A

ID: 294864

5-chloro-3-phenyl-1,2-oxazole

$$$$ Data

M. F.

C9H6ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD262489

Database	Data ID
PubChem	326080

M. W.

179.60304

CAS

3356-89-6

Similarity

N/A

ID: 294865

2-fluoro-1H-imidazole hydrochloride

$$$$ Data

M. F.

C3H4ClFN2

Suppliers	Catalog Number
Bide Pharmatech	BD264343

Database	Data ID
PubChem	12624627

M. W.

122.5286632

CAS

42309-92-2

Similarity

N/A

ID: 294866

7-chloroimidazo[1,2-b]pyridazine

$$$$ Data

M. F.

C6H4ClN3

Suppliers	Catalog Number
Bide Pharmatech	BD265325

Database	Data ID
PubChem	67980259

M. W.

153.56906

CAS

1383481-11-5

Similarity

N/A

ID: 294867

acetic acid ethyl 3-[1-(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-1,3...

$$$$ Data

M. F.

C29H33N7O5

Suppliers	Catalog Number
Bide Pharmatech	BD265597

Database	Data ID
PubChem	66510760

M. W.

559.61622

CAS

1188263-64-0

Similarity

N/A

ID: 294868

{4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methoxy-3-oxopropyl]phenyl}boronic a...

$$$$ Data

M. F.

C15H22BNO6

Suppliers	Catalog Number
Bide Pharmatech	BD265897

Database	Data ID
PubChem	10567908

M. W.

323.14928

CAS

224824-22-0

Similarity

N/A

ID: 294869

(1s,4s)-4-(methylamino)cyclohexan-1-ol hydrochloride

$$$$ Data

M. F.

C7H16ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD266959

Database	Data ID
PubChem	68732592

M. W.

165.66104

CAS

948883-68-9

Similarity

N/A

ID: 294870

6-bromoquinazoline-4-carbonitrile

$$$$ Data

M. F.

C9H4BrN3

Suppliers	Catalog Number
Bide Pharmatech	BD266992

Database	Data ID
PubChem	72710283

M. W.

234.05216

CAS

1204334-27-9

Similarity

N/A

ID: 294871

4-fluoro-2-methyl-6-nitrophenol

$$$$ Data

M. F.

C7H6FNO3

Suppliers	Catalog Number
Bide Pharmatech	BD267183

Database	Data ID
PubChem	58615941

M. W.

171.1258432

CAS

Similarity

N/A

ID: 294872

2-(4-phenyl-1,3-thiazol-2-yl)acetic acid

$$$$ Data

M. F.

C11H9NO2S

Suppliers	Catalog Number
ChemBridge	4400646
Bide Pharmatech	BD28558
A&J Pharmtech	AJA-O32346 AJA-O13783

Database	Data ID
PubChem	3926109

M. W.

219.25966

CAS

38107-10-7

Similarity

N/A

ID: 294873

(methoxymethyl)[(1R)-1-phenylethyl][(trimethylsilyl)methyl]amine

$$$$ Data

M. F.

C14H25NOSi

Suppliers	Catalog Number
Alfa Aesar	L19414
Bide Pharmatech	BD47157

Database	Data ID
PubChem	10705920

M. W.

251.4399

CAS

133407-38-2

Similarity

N/A

ID: 294874

(3S)-pyrrolidin-3-ylmethanol

$$$$ Data

M. F.

C5H11NO

Suppliers	Catalog Number
Alfa Aesar	H57199
Bide Pharmatech	BD48972

Database	Data ID
PubChem	7446911

M. W.

101.14694

CAS

110013-19-9

Similarity

N/A

ID: 294875

tert-butyl N-[(2R)-6-{[(benzyloxy)carbonyl]amino}-1-hydroxyhexan-2-yl]carbamate

$$$$ Data

M. F.

C19H30N2O5

Suppliers	Catalog Number
Bide Pharmatech	BD77559

Database	Data ID
PubChem	27281769

M. W.

366.4519

CAS

252940-35-5

Similarity

N/A

ID: 294876

2-sulfopyridine-4-carboxylic acid

$$$$ Data

M. F.

C6H5NO5S

Suppliers	Catalog Number
Bide Pharmatech	BD78634

Database	Data ID
PubChem	2762832

M. W.

203.1726

CAS

18616-07-4

Similarity

N/A

ID: 294877

4-(1-hydroxyethyl)benzoic acid

$$$$ Data

M. F.

C9H10O3

Suppliers	Catalog Number
Bide Pharmatech	BD89587

Database	Data ID
PubChem	506061

M. W.

166.1739

CAS

97364-15-3

Similarity

N/A

ID: 294878

4-methyl-1H-indazol-5-amine

$$$$ Data

M. F.

C8H9N3

Suppliers	Catalog Number
Bide Pharmatech	BD102296

Database	Data ID
PubChem	19354421

M. W.

147.17716

CAS

101257-89-0

Similarity

N/A

ID: 294879

2-[(2R)-pyrrolidin-2-yl]acetic acid hydrochloride

$$$$ Data

M. F.

C6H12ClNO2

Suppliers	Catalog Number
Alfa Aesar	H52085
Bide Pharmatech	BD123515

Database	Data ID
PubChem	45026933

M. W.

165.61798

CAS

439918-59-9

Similarity

N/A

ID: 294880

6-methoxynaphthalen-1-ol

$$$$ Data

M. F.

C11H10O2

Suppliers	Catalog Number
Bide Pharmatech	BD12964

Database	Data ID
PubChem	11008416

M. W.

174.1959

CAS

22604-07-5

Similarity

N/A

ID: 294881

[4-methyl-2-(trifluoromethyl)phenyl]boronic acid

$$$$ Data

M. F.

C8H8BF3O2

Suppliers	Catalog Number
Bide Pharmatech	BD168771

Database	Data ID
PubChem	20747642

M. W.

203.9541296

CAS

1021860-94-5

Similarity

N/A

ID: 294882

2-iodo-1,3-oxazole-4-carboxylic acid

$$$$ Data

M. F.

C4H2INO3

Suppliers	Catalog Number
Bide Pharmatech	BD173599

Database	Data ID
PubChem	70287510

M. W.

238.96805

CAS

1257849-68-5

Similarity

N/A

ID: 294883

3-bromo-1-methylpyrrolidine

$$$$ Data

M. F.

C5H10BrN

Suppliers	Catalog Number
Bide Pharmatech	BD211192
A&J Pharmtech	AJA-O36728

Database	Data ID
PubChem	13726279

M. W.

164.0436

CAS

10603-45-9

Similarity

N/A

ID: 294884

7-chloro-1,2,3,4-tetrahydro-1,8-naphthyridin-4-one

$$$$ Data

M. F.

C8H7ClN2O

Suppliers	Catalog Number
Bide Pharmatech	BD211570

Database	Data ID
PubChem	12619150

M. W.

182.60698

CAS

76629-10-2

Similarity

N/A

ID: 294885

6-amino-5-chloropyrimidine-4-carboxylic acid

$$$$ Data

M. F.

C5H4ClN3O2

Suppliers	Catalog Number
Bide Pharmatech	BD215190

Database	Data ID
PubChem	57345861

M. W.

173.55716

CAS

914916-98-6

Similarity

N/A

ID: 294886

(3E)-2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol

$$$$ Data

M. F.

C11H21BO3

Suppliers	Catalog Number
Bide Pharmatech	BD224658
A&J Pharmtech	AJA-O37605

Database	Data ID
PubChem	11117347

M. W.

212.09364

CAS

581802-26-8

Similarity

N/A

ID: 294887

(2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-3-(4-hydroxyphenyl)propanoic acid;...

$$$$ Data

M. F.

C27H44N2O5

Suppliers	Catalog Number
Bide Pharmatech	BD23234

Database	Data ID
PubChem	46735204

M. W.

476.64866

CAS

95105-25-2

Similarity

N/A

ID: 294888

5-aminopyrazine-2-carboxamide

$$$$ Data

M. F.

C5H6N4O

Suppliers	Catalog Number
Bide Pharmatech	BD234307

Database	Data ID
PubChem	12571036

M. W.

138.12734

CAS

89323-09-1

Similarity

N/A

ID: 294889

2,3-dihydrocinnolin-3-one

$$$$ Data

M. F.

C8H6N2O

Suppliers	Catalog Number
Bide Pharmatech	BD237038

Database	Data ID
PubChem	234722

M. W.

146.14604

CAS

31777-46-5

Similarity

N/A

ID: 294890

5-bromo-3-methyl-1,2,4-thiadiazole

$$$$ Data

M. F.

C3H3BrN2S

Suppliers	Catalog Number
Bide Pharmatech	BD238276

Database	Data ID
PubChem	12919160

M. W.

179.03832

CAS

54681-68-4

Similarity

N/A

ID: 294891

4-(bromomethyl)-2-methylquinoline

$$$$ Data

M. F.

C11H10BrN

Suppliers	Catalog Number
Bide Pharmatech	BD238366

Database	Data ID
PubChem	23001500

M. W.

236.1078

CAS

864779-06-6

Similarity

N/A

ID: 294892

5-bromo-2-fluoro-4-methylbenzonitrile

$$$$ Data

M. F.

C8H5BrFN

Suppliers	Catalog Number
Bide Pharmatech	BD239301

Database	Data ID
PubChem	66524926

M. W.

214.0344032

CAS

1269493-45-9

Similarity

N/A

ID: 294893

2,5-dibromo-4-methylpyrimidine

$$$$ Data

M. F.

C5H4Br2N2

Suppliers	Catalog Number
Bide Pharmatech	BD242293

Database	Data ID
PubChem	66521322

M. W.

251.90666

CAS

171408-73-4

Similarity

N/A

ID: 294894

1-(2-chloropyridin-4-yl)piperazine

$$$$ Data

M. F.

C9H12ClN3

Suppliers	Catalog Number
Bide Pharmatech	BD24292
A&J Pharmtech	AJA-O29868

Database	Data ID
PubChem	21274462

M. W.

197.66468

CAS

854159-45-8

Similarity

N/A

ID: 294895

5,6,7,8-tetrahydro-1,7-naphthyridin-8-one

$$$$ Data

M. F.

C8H8N2O

Suppliers	Catalog Number
Bide Pharmatech	BD245276

Database	Data ID
PubChem	22180515

M. W.

148.16192

CAS

301666-63-7

Similarity

N/A

ID: 294896

2-(chloromethyl)-3-methylpyrazine

$$$$ Data

M. F.

C6H7ClN2

Suppliers	Catalog Number
ChemBridge	4036445
Bide Pharmatech	BD246122

Database	Data ID
PubChem	12827793

M. W.

142.58618

CAS

81831-67-6

Similarity

N/A

ID: 294897

4,6,8-trichloro-1,7-naphthyridine

$$$$ Data

M. F.

C8H3Cl3N2

Suppliers	Catalog Number
Bide Pharmatech	BD248827

Database	Data ID
PubChem	71464212

M. W.

233.48182

CAS

931100-02-6

Similarity

N/A

ID: 294898

5-bromo-4-chlorothiophene-2-carboxylic acid

$$$$ Data

M. F.

C5H2BrClO2S

Suppliers	Catalog Number
Bide Pharmatech	BD248907

Database	Data ID
PubChem	16639170

M. W.

241.49018

CAS

123418-69-9

Similarity

N/A

ID: 294899

methyl 6-chloro-1H-indole-4-carboxylate

$$$$ Data

M. F.

C10H8ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD250580

Database	Data ID
PubChem	53399422

M. W.

209.62902

CAS

1082040-57-0

Similarity

N/A

ID: 294900

tribromopyrazin-2-amine

$$$$ Data

M. F.

C4H2Br3N3

Suppliers	Catalog Number
Bide Pharmatech	BD258878

Database	Data ID
PubChem	20368031

M. W.

331.79078

CAS

66490-61-7

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