Chembase list of 866358 unique molecular structures

1-phenylpiperidin-4-amine dihydrochloride

$$$$ Data

M. F.

C11H18Cl2N2

Suppliers	Catalog Number
Bide Pharmatech	BD221088

Database	Data ID
PubChem	53488161

M. W.

249.18002

CAS

1082662-38-1

Similarity

N/A

ID: 289452

1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[5,4-d]pyrimidine-2,4,6,8-tetrone

$$$$ Data

M. F.

C6H4N4O4

Suppliers	Catalog Number
Bide Pharmatech	BD22113

Database	Data ID
PubChem	81210

M. W.

196.12036

CAS

6713-54-8

Similarity

N/A

ID: 289453

ethyl 4,4-diethoxy-3-oxobutanoate

$$$$ Data

M. F.

C10H18O5

Suppliers	Catalog Number
Bide Pharmatech	BD221144

Database	Data ID
PubChem	11138577

M. W.

218.24692

CAS

10495-09-7

Similarity

N/A

ID: 289454

[4-(2-acetamidoethyl)phenyl]boronic acid

$$$$ Data

M. F.

C10H14BNO3

Suppliers	Catalog Number
Bide Pharmatech	BD221151

Database	Data ID
PubChem	46738670

M. W.

207.03406

CAS

874459-75-3

Similarity

N/A

ID: 289455

4-phenylpyrimidine-2-carboxylic acid

$$$$ Data

M. F.

C11H8N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD221195

Database	Data ID
PubChem	12582974

M. W.

200.19342

CAS

74647-39-5

Similarity

N/A

ID: 289456

4-methylthiophen-2-amine hydrochloride

$$$$ Data

M. F.

C5H8ClNS

Suppliers	Catalog Number
Bide Pharmatech	BD221213

Database	Data ID
PubChem	57345818

M. W.

149.64172

CAS

930299-88-0

Similarity

N/A

ID: 289457

8,8,10,10-tetraphenyl-8λ⁵,10λ⁵-diphospha-9-nickela-2-fer...

$$$$ Data

M. F.

C34H28Cl2FeNiP2

Suppliers	Catalog Number
Bide Pharmatech	BD22123

Database	Data ID
PubChem	71463669

M. W.

683.978042

CAS

67292-34-6

Similarity

N/A

ID: 289458

2-chloro-7-methoxyquinoxaline

$$$$ Data

M. F.

C9H7ClN2O

Suppliers	Catalog Number
Bide Pharmatech	BD221234

Database	Data ID
PubChem	12686415

M. W.

194.61768

CAS

55686-93-6

Similarity

N/A

ID: 289459

2-amino-9,10-dihydroacridin-9-one hydrochloride

$$$$ Data

M. F.

C13H11ClN2O

Suppliers	Catalog Number
Bide Pharmatech	BD221245

Database	Data ID
PubChem	66570698

M. W.

246.69224

CAS

727388-68-3

Similarity

N/A

ID: 289460

(prop-1-en-2-yl)boronic acid

$$$$ Data

M. F.

C3H7BO2

Suppliers	Catalog Number
Bide Pharmatech	BD221248

Database	Data ID
PubChem	10855372

M. W.

85.89748

CAS

14559-87-6

Similarity

N/A

ID: 289461

(2S)-2-amino-2-(4-chlorophenyl)acetic acid

$$$$ Data

M. F.

C8H8ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD22127

Database	Data ID
PubChem	738019

M. W.

185.60762

CAS

67336-19-0

Similarity

N/A

ID: 289462

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

$$$$ Data

M. F.

C6H8N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD221323
A&J Pharmtech	AJA-O21898

Database	Data ID
PubChem	12847993

M. W.

156.13932

CAS

85230-37-1

Similarity

N/A

ID: 289463

(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morp...

$$$$ Data

M. F.

C20H19ClF7NO2

Suppliers	Catalog Number
Bide Pharmatech	BD221324

Database	Data ID
PubChem	10116311

M. W.

473.8121824

CAS

171482-05-6

Similarity

N/A

ID: 289464

diphenylmethanimine hydrochloride

$$$$ Data

M. F.

C13H12ClN

Suppliers	Catalog Number
Bide Pharmatech	BD221328

Database	Data ID
PubChem	12234619

M. W.

217.69408

CAS

5319-67-5

Similarity

N/A

ID: 289465

pyrimidine-2,4,6-triol

$$$$ Data

M. F.

C4H4N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD22143

Database	Data ID
PubChem	513624

M. W.

128.08616

CAS

67-52-7

Similarity

N/A

ID: 289466

5-chloro-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C4H3ClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD221530

Database	Data ID
PubChem	22245191

M. W.

146.53182

CAS

1186049-67-1

Similarity

N/A

ID: 289467

2-nitrobenzene-1,4-diamine; sulfuric acid

$$$$ Data

M. F.

C6H9N3O6S

Suppliers	Catalog Number
Bide Pharmatech	BD22168

Database	Data ID
PubChem	5361845

M. W.

251.21716

CAS

68239-83-8

Similarity

N/A

ID: 289468

ethyl 5-chloro-1H-pyrazole-4-carboxylate

$$$$ Data

M. F.

C6H7ClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD221734

Database	Data ID
PubChem	24728616

M. W.

174.58498

CAS

948552-01-0

Similarity

N/A

ID: 289469

2-chloro-5-cyanobenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C7H3Cl2NO2S

Suppliers	Catalog Number
Bide Pharmatech	BD221757

Database	Data ID
PubChem	53301994

M. W.

236.07522

CAS

942199-56-6

Similarity

N/A

ID: 289470

imidazo[1,2-a]pyridin-2-ol

$$$$ Data

M. F.

C7H6N2O

Suppliers	Catalog Number
Bide Pharmatech	BD221854

Database	Data ID
PubChem	14674030

M. W.

134.13534

CAS

112566-20-8

Similarity

N/A

ID: 289471

2-[4-chloro-3-(chlorosulfonyl)benzoyl]benzoic acid

$$$$ Data

M. F.

C14H8Cl2O5S

Suppliers	Catalog Number
Bide Pharmatech	BD22188

Database	Data ID
PubChem	3017868

M. W.

359.18132

CAS

68592-12-1

Similarity

N/A

ID: 289472

2-methoxyquinoline

$$$$ Data

M. F.

C10H9NO

Suppliers	Catalog Number
Bide Pharmatech	BD221912

Database	Data ID
PubChem	138869

M. W.

159.18456

CAS

6931-16-4

Similarity

N/A

ID: 289473

methyl 2,3-dihydro-1H-indole-7-carboxylate

$$$$ Data

M. F.

C10H11NO2

Suppliers	Catalog Number
Bide Pharmatech	BD221966

Database	Data ID
PubChem	14072919

M. W.

177.19984

CAS

112106-91-9

Similarity

N/A

ID: 289474

1-methyl-1H-imidazol-4-amine hydrochloride

$$$$ Data

M. F.

C4H8ClN3

Suppliers	Catalog Number
Bide Pharmatech	BD221969

Database	Data ID
PubChem	56956233

M. W.

133.57942

CAS

89088-69-7

Similarity

N/A

ID: 289475

4-[(tert-butyldiphenylsilyl)oxy]cyclohexane-1-carbonitrile

$$$$ Data

M. F.

C23H29NOSi

Suppliers	Catalog Number
Bide Pharmatech	BD222023

Database	Data ID
PubChem	18999548

M. W.

363.56796

CAS

141336-97-2

Similarity

N/A

ID: 289476

5-bromo-2-(5-bromopyridin-2-yl)pyridine

$$$$ Data

M. F.

C10H6Br2N2

Suppliers	Catalog Number
Bide Pharmatech	BD222203
A&J Pharmtech	AJA-O31519

Database	Data ID
PubChem	10903103

M. W.

313.97604

CAS

15862-18-7

Similarity

N/A

ID: 289477

benzyl (2S,3aS,6aS)-octahydrocyclopenta[b]pyrrole-2-carboxylate

$$$$ Data

M. F.

C15H19NO2

Suppliers	Catalog Number
Bide Pharmatech	BD222263

Database	Data ID
PubChem	13216858

M. W.

245.31686

CAS

93779-31-8

Similarity

N/A

ID: 289478

[3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol

$$$$ Data

M. F.

C5H5F3N2O

Suppliers	Catalog Number
Bide Pharmatech	BD222269
A&J Pharmtech	AJA-O6715

Database	Data ID
PubChem	59520494

M. W.

166.1012096

CAS

1001020-13-8

Similarity

N/A

ID: 289479

4-bromo-2-methylpyridin-3-amine

$$$$ Data

M. F.

C6H7BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD222272

Database	Data ID
PubChem	14418044

M. W.

187.03718

CAS

126325-48-2

Similarity

N/A

ID: 289480

2-(1H-indol-6-yl)acetic acid

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
Bide Pharmatech	BD222274
A&J Pharmtech	AJA-O6093

Database	Data ID
PubChem	14882503

M. W.

175.18396

CAS

39689-58-2

Similarity

N/A

ID: 289481

(2-chlorophenyl)methanamine hydrochloride

$$$$ Data

M. F.

C7H9Cl2N

Suppliers	Catalog Number
Bide Pharmatech	BD222318

Database	Data ID
PubChem	18670922

M. W.

178.05906

CAS

22680-44-0

Similarity

N/A

ID: 289482

(3R)-azepan-3-amine

$$$$ Data

M. F.

C6H14N2

Suppliers	Catalog Number
Bide Pharmatech	BD222327

Database	Data ID
PubChem	7145034

M. W.

114.18876

CAS

124932-43-0

Similarity

N/A

ID: 289483

2-[(4-aminopentyl)(ethyl)amino]ethan-1-ol

$$$$ Data

M. F.

C9H22N2O

Suppliers	Catalog Number
Bide Pharmatech	BD22233
A&J Pharmtech	AJA-O5407

Database	Data ID
PubChem	112288

M. W.

174.28378

CAS

69559-11-1

Similarity

N/A

ID: 289484

8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol hydrochloride

$$$$ Data

M. F.

C8H14ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD222351

Database	Data ID
PubChem	10419695

M. W.

175.65586

CAS

99709-24-7

Similarity

N/A

ID: 289485

2-amino-5-nitropyridin-3-ol

$$$$ Data

M. F.

C5H5N3O3

Suppliers	Catalog Number
Bide Pharmatech	BD222352

Database	Data ID
PubChem	5373425

M. W.

155.1115

CAS

908248-27-1

Similarity

N/A

ID: 289486

1,3-thiazole-2-carboximidamide hydrochloride

$$$$ Data

M. F.

C4H6ClN3S

Suppliers	Catalog Number
Bide Pharmatech	BD222398

Database	Data ID
PubChem	18679584

M. W.

163.62854

CAS

247037-82-7

Similarity

N/A

ID: 289487

methyl 5-bromo-3-hydroxypyridine-2-carboxylate

$$$$ Data

M. F.

C7H6BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD222411

Database	Data ID
PubChem	57345826

M. W.

232.03144

CAS

1242320-57-5

Similarity

N/A

ID: 289488

2,3-dichloro-6-methoxypyridine

$$$$ Data

M. F.

C6H5Cl2NO

Suppliers	Catalog Number
Bide Pharmatech	BD222436

Database	Data ID
PubChem	3019245

M. W.

178.016

CAS

83732-68-7

Similarity

N/A

ID: 289489

tert-butyl N-[(3S)-5-oxopyrrolidin-3-yl]carbamate

$$$$ Data

M. F.

C9H16N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD222447

Database	Data ID
PubChem	45091936

M. W.

200.23494

CAS

672883-23-7

Similarity

N/A

ID: 289490

2-(1H-indazol-3-yl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C9H12ClN3

Suppliers	Catalog Number
Bide Pharmatech	BD222530

Database	Data ID
PubChem	66832018

M. W.

197.66468

CAS

1258504-46-9

Similarity

N/A

ID: 289491

methyl[(2-methylpyrimidin-5-yl)methyl]amine

$$$$ Data

M. F.

C7H11N3

Suppliers	Catalog Number
Bide Pharmatech	BD222539
A&J Pharmtech	AJA-O10059

Database	Data ID
PubChem	22929643

M. W.

137.18234

CAS

1248406-79-2

Similarity

N/A

ID: 289492

6-bromo-1,3-benzoxazol-2-amine

$$$$ Data

M. F.

C7H5BrN2O

Suppliers	Catalog Number
Bide Pharmatech	BD222544

Database	Data ID
PubChem	40235

M. W.

213.0314

CAS

52112-66-0

Similarity

N/A

ID: 289493

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(N-hydroxyimino)acetic acid

$$$$ Data

M. F.

C5H5N3O3S

Suppliers	Catalog Number
Bide Pharmatech	BD222545

Database	Data ID
PubChem	6399474

M. W.

187.1765

CAS

66338-96-3

Similarity

N/A

ID: 289494

4-methylpiperazine-1-sulfonyl chloride hydrochloride

$$$$ Data

M. F.

C5H12Cl2N2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD222555

Database	Data ID
PubChem	18798705

M. W.

235.13198

CAS

33581-96-3

Similarity

N/A

ID: 289495

6-bromopyrazolo[1,5-a]pyridine

$$$$ Data

M. F.

C7H5BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD222559

Database	Data ID
PubChem	53302253

M. W.

197.032

CAS

1264193-11-4

Similarity

N/A

ID: 289496

ethyl 5-amino-1H-pyrrole-2-carboxylate

$$$$ Data

M. F.

C7H10N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD222590
A&J Pharmtech	AJA-O3136

Database	Data ID
PubChem	12066244

M. W.

154.1665

CAS

755750-25-5

Similarity

N/A

ID: 289497

7,8-dihydro-1,7-naphthyridin-8-one

$$$$ Data

M. F.

C8H6N2O

Suppliers	Catalog Number
Bide Pharmatech	BD222592
A&J Pharmtech	AJA-O19330

Database	Data ID
PubChem	12441413

M. W.

146.14604

CAS

67967-11-7

Similarity

N/A

ID: 289498

(2,6-dimethylpyridin-4-yl)boronic acid

$$$$ Data

M. F.

C7H10BNO2

Suppliers	Catalog Number
Bide Pharmatech	BD222617
A&J Pharmtech	AJA-O37751

Database	Data ID
PubChem	23546910

M. W.

150.9708

CAS

846548-44-5

Similarity

N/A

ID: 289499

5'-bromo-1',2'-dihydrospiro[cyclopropane-1,3'-indole]

$$$$ Data

M. F.

C10H10BrN

Suppliers	Catalog Number
Bide Pharmatech	BD222627
A&J Pharmtech	AJA-O626

Database	Data ID
PubChem	57345830

M. W.

224.0971

CAS

1260763-03-8

Similarity

N/A

ID: 289500

2-bromo-1,7-naphthyridine

$$$$ Data

M. F.

C8H5BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD222636
A&J Pharmtech	AJA-O12534

Database	Data ID
PubChem	22934820

M. W.

209.0427

CAS

54920-83-1

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