Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C5H11Cl2N

Suppliers	Catalog Number
Bide Pharmatech	BD67543

Database	Data ID
PubChem	533936

M. W.

156.05354

CAS

108766-06-9

Similarity

N/A

ID: 294152

2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol

$$$$ Data

M. F.

C16H26O2

Suppliers	Catalog Number
Bide Pharmatech	BD67894

Database	Data ID
PubChem	6610

M. W.

250.37644

CAS

79-74-3

Similarity

N/A

ID: 294153

2,6-dibromo-4-chlorophenol

$$$$ Data

M. F.

C6H3Br2ClO

Suppliers	Catalog Number
Bide Pharmatech	BD68039
A&J Pharmtech	AJA-O3764

Database	Data ID
PubChem	21394

M. W.

286.34842

CAS

5324-13-0

Similarity

N/A

ID: 294154

2,6-dichloro-3-hydroxypyridine-4-carboxylic acid

$$$$ Data

M. F.

C6H3Cl2NO3

Suppliers	Catalog Number
Bide Pharmatech	BD68094

Database	Data ID
PubChem	2762506

M. W.

207.99892

CAS

185422-96-2

Similarity

N/A

ID: 294155

2,6-dichloro-4-methyl-3-nitropyridine

$$$$ Data

M. F.

C6H4Cl2N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD68133
A&J Pharmtech	AJA-O3312

Database	Data ID
PubChem	21875737

M. W.

207.01416

CAS

60010-03-9

Similarity

N/A

ID: 294156

2,6-difluoro-3-iodobenzoic acid

$$$$ Data

M. F.

C7H3F2IO2

Suppliers	Catalog Number
Bide Pharmatech	BD68259

Database	Data ID
PubChem	50997881

M. W.

283.9987964

CAS

229178-74-9

Similarity

N/A

ID: 294157

3-nitropyridine-2,6-diol

$$$$ Data

M. F.

C5H4N2O4

Suppliers	Catalog Number
Bide Pharmatech	BD68337
A&J Pharmtech	AJA-O7258

Database	Data ID
PubChem	3804196

M. W.

156.09626

CAS

16013-84-6

Similarity

N/A

ID: 294158

2,6-dimethoxy-3,5-dinitropyridine

$$$$ Data

M. F.

C7H7N3O6

Suppliers	Catalog Number
Bide Pharmatech	BD68375

Database	Data ID
PubChem	2784720

M. W.

229.14698

CAS

18677-42-4

Similarity

N/A

ID: 294159

2,7-dibromo-9,10-dihydrophenanthrene-9,10-dione

$$$$ Data

M. F.

C14H6Br2O2

Suppliers	Catalog Number
Bide Pharmatech	BD68607
A&J Pharmtech	AJA-O2987

Database	Data ID
PubChem	265843

M. W.

366.00424

CAS

84405-44-7

Similarity

N/A

ID: 294160

2,7-dibromo-9,9-diphenyl-9H-fluorene

$$$$ Data

M. F.

C25H16Br2

Suppliers	Catalog Number
Bide Pharmatech	BD68609

Database	Data ID
PubChem	16744636

M. W.

476.20254

CAS

186259-63-2

Similarity

N/A

ID: 294161

2,3-dimethoxy-5-sulfamoylbenzoic acid

$$$$ Data

M. F.

C9H11NO6S

Suppliers	Catalog Number
Bide Pharmatech	BD6867

Database	Data ID
PubChem	3017698

M. W.

261.25174

CAS

66644-80-2

Similarity

N/A

ID: 294162

2-[(3-amino-4-methoxyphenyl)amino]ethan-1-ol

$$$$ Data

M. F.

C9H14N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD68817

Database	Data ID
PubChem	3019283

M. W.

182.21966

CAS

83763-47-7

Similarity

N/A

ID: 294163

2-[(4-amino-2-methyl-5-nitrophenyl)amino]ethan-1-ol

$$$$ Data

M. F.

C9H13N3O3

Suppliers	Catalog Number
Bide Pharmatech	BD68836
A&J Pharmtech	AJA-O1637

Database	Data ID
PubChem	9815715

M. W.

211.21782

CAS

82576-75-8

Similarity

N/A

ID: 294164

2-[2-(2-aminoethoxy)ethoxy]ethan-1-ol

$$$$ Data

M. F.

C6H15NO3

Suppliers	Catalog Number
Bide Pharmatech	BD69049
A&J Pharmtech	AJA-O29169

Database	Data ID
PubChem	95875

M. W.

149.1882

CAS

6338-55-2

Similarity

N/A

ID: 294165

2-[ethyl({3-methyl-4-[(E)-2-(5-nitro-1,3-thiazol-2-yl)diazen-1-yl]phenyl})amino]...

$$$$ Data

M. F.

C14H17N5O3S

Suppliers	Catalog Number
Bide Pharmatech	BD69225

Database	Data ID
PubChem	108061

M. W.

335.38148

CAS

68516-81-4

Similarity

N/A

ID: 294166

ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene...

$$$$ Data

M. F.

C20H26N2O8S

Suppliers	Catalog Number
Bide Pharmatech	BD69234

Database	Data ID
PubChem	12253549

M. W.

454.49404

CAS

58194-26-6

Similarity

N/A

ID: 294167

N-(3-methylpyridin-2-yl)acetamide

$$$$ Data

M. F.

C8H10N2O

Suppliers	Catalog Number
Bide Pharmatech	BD69340
A&J Pharmtech	AJA-O4777

Database	Data ID
PubChem	268295

M. W.

150.1778

CAS

7463-30-1

Similarity

N/A

ID: 294168

N-(6-methylpyridin-2-yl)acetamide

$$$$ Data

M. F.

C8H10N2O

Suppliers	Catalog Number
Alfa Aesar	H32034
Bide Pharmatech	BD69372

Database	Data ID
PubChem	220486

M. W.

150.1778

CAS

5327-33-3

Similarity

N/A

ID: 294169

1-(4-chlorothiophen-2-yl)ethan-1-one

$$$$ Data

M. F.

C6H5ClOS

Suppliers	Catalog Number
Alfa Aesar	H30384
Bide Pharmatech	BD69445
A&J Pharmtech	AJA-O38936

Database	Data ID
PubChem	11105655

M. W.

160.6213

CAS

34730-20-6

Similarity

N/A

ID: 294170

(2E)-3-(2,5-difluorophenyl)-2-acetamidoprop-2-enoic acid

$$$$ Data

M. F.

C11H9F2NO3

Suppliers	Catalog Number
Bide Pharmatech	BD69472

Database	Data ID
PubChem	27281366

M. W.

241.1908664

CAS

959246-37-8

Similarity

N/A

ID: 294171

1,3-dimethoxypropan-2-amine

$$$$ Data

M. F.

C5H13NO2

Suppliers	Catalog Number
Bide Pharmatech	BD69614

Database	Data ID
PubChem	1514160

M. W.

119.16222

CAS

78531-29-0

Similarity

N/A

ID: 294172

(3R)-3-amino-3-phenylpropan-1-ol

$$$$ Data

M. F.

C9H13NO

Suppliers	Catalog Number
Bide Pharmatech	BD6963

Database	Data ID
PubChem	7016858

M. W.

151.20562

CAS

170564-98-4

Similarity

N/A

ID: 294173

(3S)-3-amino-3-phenylpropan-1-ol

$$$$ Data

M. F.

C9H13NO

Suppliers	Catalog Number
Bide Pharmatech	BD6964

Database	Data ID
PubChem	2734520

M. W.

151.20562

CAS

82769-76-4

Similarity

N/A

ID: 294174

2-amino-2-(2-hydroxyphenyl)acetic acid

$$$$ Data

M. F.

C8H9NO3

Suppliers	Catalog Number
Bide Pharmatech	BD69669
A&J Pharmtech	AJA-O38474

Database	Data ID
PubChem	10125097

M. W.

167.16196

CAS

25178-38-5

Similarity

N/A

ID: 294175

(2S)-2-amino-3-(3,5-diiodophenyl)propanoic acid

$$$$ Data

M. F.

C9H9I2NO2

Suppliers	Catalog Number
Bide Pharmatech	BD69763

Database	Data ID
PubChem	18638095

M. W.

416.9822

CAS

20704-71-6

Similarity

N/A

ID: 294176

2-N-methylpyrazine-2,3-diamine

$$$$ Data

M. F.

C5H8N4

Suppliers	Catalog Number
Bide Pharmatech	BD69768

Database	Data ID
PubChem	16740673

M. W.

124.14382

CAS

84996-40-7

Similarity

N/A

ID: 294177

2-(2-amino-3-benzoylphenyl)-2-(methylsulfanyl)acetamide

$$$$ Data

M. F.

C16H16N2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD69830
A&J Pharmtech	AJA-O6317

Database	Data ID
PubChem	15634727

M. W.

300.37544

CAS

78281-61-5

Similarity

N/A

ID: 294178

3-chloro-4-methylpyridin-2-amine

$$$$ Data

M. F.

C6H7ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD69857

Database	Data ID
PubChem	9855502

M. W.

142.58618

CAS

56960-76-0

Similarity

N/A

ID: 294179

2-iodo-6-methyl-4-nitroaniline

$$$$ Data

M. F.

C7H7IN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD69917

Database	Data ID
PubChem	29934710

M. W.

278.04715

CAS

220144-91-2

Similarity

N/A

ID: 294180

2-amino-3-nitrobenzamide

$$$$ Data

M. F.

C7H7N3O3

Suppliers	Catalog Number
Bide Pharmatech	BD69944

Database	Data ID
PubChem	10797476

M. W.

181.14878

CAS

313279-12-8

Similarity

N/A

ID: 294181

2-amino-4,5-dibromobenzoic acid

$$$$ Data

M. F.

C7H5Br2NO2

Suppliers	Catalog Number
Bide Pharmatech	BD70008

Database	Data ID
PubChem	4962176

M. W.

294.9281

CAS

75057-62-4

Similarity

N/A

ID: 294182

2-amino-4,6-dichlorobenzoic acid

$$$$ Data

M. F.

C7H5Cl2NO2

Suppliers	Catalog Number
Bide Pharmatech	BD70043

Database	Data ID
PubChem	290498

M. W.

206.0261

CAS

20776-63-0

Similarity

N/A

ID: 294183

4-amino-5-methoxy-N,2-dimethylbenzene-1-sulfonamide

$$$$ Data

M. F.

C9H14N2O3S

Suppliers	Catalog Number
Bide Pharmatech	BD7006

Database	Data ID
PubChem	170791

M. W.

230.28406

CAS

49564-57-0

Similarity

N/A

ID: 294184

4-chloro-6-(trifluoromethyl)pyrimidin-2-amine

$$$$ Data

M. F.

C5H3ClF3N3

Suppliers	Catalog Number
Bide Pharmatech	BD70126

Database	Data ID
PubChem	13086907

M. W.

197.5456296

CAS

16097-60-2

Similarity

N/A

ID: 294185

5-chloro-2-methylaniline hydrochloride

$$$$ Data

M. F.

C7H9Cl2N

Suppliers	Catalog Number
Bide Pharmatech	BD70147

Database	Data ID
PubChem	80416

M. W.

178.05906

CAS

6259-42-3

Similarity

N/A

ID: 294186

2-amino-4-iodobenzoic acid

$$$$ Data

M. F.

C7H6INO2

Suppliers	Catalog Number
Bide Pharmatech	BD70193

Database	Data ID
PubChem	22724780

M. W.

263.03251

CAS

20776-54-9

Similarity

N/A

ID: 294187

5-bromo-3,4-dimethylpyridin-2-amine

$$$$ Data

M. F.

C7H9BrN2

Suppliers	Catalog Number
Alfa Aesar	L17672
Bide Pharmatech	BD70340

Database	Data ID
PubChem	7010307

M. W.

201.06376

CAS

374537-97-0

Similarity

N/A

ID: 294188

5-bromo-3-ethoxypyrazin-2-amine

$$$$ Data

M. F.

C6H8BrN3O

Suppliers	Catalog Number
Bide Pharmatech	BD70341
A&J Pharmtech	AJA-O2227

Database	Data ID
PubChem	12674611

M. W.

218.05122

CAS

77112-66-4

Similarity

N/A

ID: 294189

2-amino-5-chloropyrimidine-4-carboxylic acid

$$$$ Data

M. F.

C5H4ClN3O2

Suppliers	Catalog Number
Bide Pharmatech	BD70424

Database	Data ID
PubChem	97412

M. W.

173.55716

CAS

45867-11-6

Similarity

N/A

ID: 294190

hydrogen 5-chloro-1,3-thiazol-2-amine chloride

$$$$ Data

M. F.

C3H3Cl2N2S-

Suppliers	Catalog Number
Bide Pharmatech	BD70426

Database	Data ID
PubChem	73994952

M. W.

170.04032

CAS

55506-37-1

Similarity

N/A

ID: 294191

5-ethylpyridin-2-amine

$$$$ Data

M. F.

C7H10N2

Suppliers	Catalog Number
Bide Pharmatech	BD70437
A&J Pharmtech	AJA-O13652

Database	Data ID
PubChem	9812777

M. W.

122.1677

CAS

19842-07-0

Similarity

N/A

ID: 294192

2-amino-1,3-thiazole-5-carbaldehyde hydrochloride

$$$$ Data

M. F.

C4H5ClN2OS

Suppliers	Catalog Number
Bide Pharmatech	BD70453
A&J Pharmtech	AJA-O4105

Database	Data ID
PubChem	46738140

M. W.

164.6133

CAS

920313-27-5

Similarity

N/A

ID: 294193

2-amino-5-hydroxybenzonitrile

$$$$ Data

M. F.

C7H6N2O

Suppliers	Catalog Number
Bide Pharmatech	BD70455

Database	Data ID
PubChem	20157504

M. W.

134.13534

CAS

116423-58-6

Similarity

N/A

ID: 294194

2-amino-5-methoxybenzonitrile

$$$$ Data

M. F.

C8H8N2O

Suppliers	Catalog Number
Bide Pharmatech	BD70474

Database	Data ID
PubChem	3513002

M. W.

148.16192

CAS

23842-82-2

Similarity

N/A

ID: 294195

2-amino-5-methylpyridine-3-carbonitrile

$$$$ Data

M. F.

C7H7N3

Suppliers	Catalog Number
Bide Pharmatech	BD70494
A&J Pharmtech	AJA-O13661

Database	Data ID
PubChem	13070842

M. W.

133.15058

CAS

38076-78-7

Similarity

N/A

ID: 294196

3-chloro-2-methyl-6-nitroaniline

$$$$ Data

M. F.

C7H7ClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD70589
A&J Pharmtech	AJA-O5169

Database	Data ID
PubChem	12953020

M. W.

186.59568

CAS

51123-59-2

Similarity

N/A

ID: 294197

ethyl 3,3-diethoxyprop-2-enoate

$$$$ Data

M. F.

C9H16O4

Suppliers	Catalog Number
Bide Pharmatech	BD7067

Database	Data ID
PubChem	169388

M. W.

188.22094

CAS

32002-24-7

Similarity

N/A

ID: 294198

dipropylpropanedioic acid

$$$$ Data

M. F.

C9H16O4

Suppliers	Catalog Number
Alfa Aesar	L06904
Bide Pharmatech	BD7072

Database	Data ID
PubChem	74221

M. W.

188.22094

CAS

1636-27-7

Similarity

N/A

ID: 294199

2-aminophenol hydrochloride

$$$$ Data

M. F.

C6H8ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD70925

Database	Data ID
PubChem	5800

M. W.

145.58682

CAS

51-19-4

Similarity

N/A

ID: 294200

2-aminoquinoline-3-carboxylic acid

$$$$ Data

M. F.

C10H8N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD70976

Database	Data ID
PubChem	283476

M. W.

188.18272

CAS

31407-29-1

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