Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C10H7NO3

Suppliers	Catalog Number
Bide Pharmatech	BD249953

Database	Data ID
PubChem	21085871

M. W.

189.16748

CAS

597561-78-9

Similarity

N/A

ID: 293202

2-(2-chloropyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one

$$$$ Data

M. F.

C12H10ClN3O

Suppliers	Catalog Number
Bide Pharmatech	BD250037

Database	Data ID
PubChem	16720432

M. W.

247.6803

CAS

724726-05-0

Similarity

N/A

ID: 293203

3-bromo-5-chlorothieno[3,2-b]pyridine

$$$$ Data

M. F.

C7H3BrClNS

Suppliers	Catalog Number
Bide Pharmatech	BD250042

Database	Data ID
PubChem	71464339

M. W.

248.52742

CAS

912332-40-2

Similarity

N/A

ID: 293204

N,6-dimethylpyrazin-2-amine

$$$$ Data

M. F.

C6H9N3

Suppliers	Catalog Number
Bide Pharmatech	BD250060
A&J Pharmtech	AJA-O8426 AJA-O7551

Database	Data ID
PubChem	55286460

M. W.

123.15576

CAS

89464-78-8

Similarity

N/A

ID: 293205

methyl 2-methylquinoline-6-carboxylate

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Bide Pharmatech	BD250063
A&J Pharmtech	AJA-O10085

Database	Data ID
PubChem	2308822

M. W.

201.22124

CAS

108166-01-4

Similarity

N/A

ID: 293206

1-(2-chloro-6-methoxyphenyl)ethan-1-one

$$$$ Data

M. F.

C9H9ClO2

Suppliers	Catalog Number
Bide Pharmatech	BD250179
A&J Pharmtech	AJA-O4851

Database	Data ID
PubChem	71464357

M. W.

184.61956

CAS

881883-32-5

Similarity

N/A

ID: 293207

[(4-methoxyphenyl)methyl](naphthalen-1-ylmethyl)amine

$$$$ Data

M. F.

C19H19NO

Suppliers	Catalog Number
ChemBridge	5552132
Bide Pharmatech	BD250195
A&J Pharmtech	AJA-O10057

Database	Data ID
PubChem	781301

M. W.

277.36026

CAS

185669-79-8

Similarity

N/A

ID: 293208

2,3-dimethyl-5-nitro-2H-indazole

$$$$ Data

M. F.

C9H9N3O2

Suppliers	Catalog Number
Bide Pharmatech	BD250204

Database	Data ID
PubChem	71464358

M. W.

191.18666

CAS

Similarity

N/A

ID: 293209

3-chloropyrido[2,3-b]pyrazine

$$$$ Data

M. F.

C7H4ClN3

Suppliers	Catalog Number
Bide Pharmatech	BD250270

Database	Data ID
PubChem	20360818

M. W.

165.57976

CAS

155535-23-2

Similarity

N/A

ID: 293210

7-bromoquinolin-5-amine

$$$$ Data

M. F.

C9H7BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD250272

Database	Data ID
PubChem	71607203

M. W.

223.06928

CAS

Similarity

N/A

ID: 293211

4-(piperazin-1-yl)pyrimidine dihydrochloride

$$$$ Data

M. F.

C8H14Cl2N4

Suppliers	Catalog Number
Bide Pharmatech	BD250279

Database	Data ID
PubChem	66570452

M. W.

237.12956

CAS

634468-72-7

Similarity

N/A

ID: 293212

6-methoxyquinazolin-4-amine

$$$$ Data

M. F.

C9H9N3O

Suppliers	Catalog Number
Bide Pharmatech	BD250476
A&J Pharmtech	AJA-O30090

Database	Data ID
PubChem	17949136

M. W.

175.18726

CAS

885277-51-0

Similarity

N/A

ID: 293213

2-amino-1-[4-(trifluoromethyl)phenyl]ethan-1-one hydrochloride

$$$$ Data

M. F.

C9H9ClF3NO

Suppliers	Catalog Number
Bide Pharmatech	BD25071

Database	Data ID
PubChem	22281635

M. W.

239.6220696

CAS

339-58-2

Similarity

N/A

ID: 293214

4-ethoxypyridine-2-carbaldehyde

$$$$ Data

M. F.

C8H9NO2

Suppliers	Catalog Number
Bide Pharmatech	BD250736

Database	Data ID
PubChem	71607223

M. W.

151.16256

CAS

16665-43-3

Similarity

N/A

ID: 293215

methyl 5-fluoro-6-methoxypyridine-3-carboxylate

$$$$ Data

M. F.

C8H8FNO3

Suppliers	Catalog Number
Bide Pharmatech	BD250869

Database	Data ID
PubChem	46311253

M. W.

185.1524232

CAS

953780-40-0

Similarity

N/A

ID: 293216

(2-chloroethyl)dimethylamine hydrate hydrochloride

$$$$ Data

M. F.

C4H13Cl2NO

Suppliers	Catalog Number
Bide Pharmatech	BD250909

Database	Data ID
PubChem	71607204

M. W.

162.05812

CAS

Similarity

N/A

ID: 293217

5,6,7,8-tetrahydro-1,7-naphthyridine hydrochloride

$$$$ Data

M. F.

C8H11ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD250949

Database	Data ID
PubChem	71720941

M. W.

170.63934

CAS

1338707-67-7

Similarity

N/A

ID: 293218

sodium 2-(dimethylamino)-1-hydroxyethane-1-sulfonate

$$$$ Data

M. F.

C4H10NNaO4S

Suppliers	Catalog Number
Bide Pharmatech	BD250976

Database	Data ID
PubChem	71607346

M. W.

191.18127

CAS

Similarity

N/A

ID: 293219

1-oxa-8-azaspiro[4.5]decan-3-one hydrochloride

$$$$ Data

M. F.

C8H14ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD251028

Database	Data ID
PubChem	23356729

M. W.

191.65526

CAS

133382-42-0

Similarity

N/A

ID: 293220

2-(2,4-diaminophenoxy)ethan-1-ol dihydrochloride

$$$$ Data

M. F.

C8H14Cl2N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD251065
A&J Pharmtech	AJA-O3970

Database	Data ID
PubChem	47932

M. W.

241.11496

CAS

66422-95-5

Similarity

N/A

ID: 293221

2-{1H-pyrrolo[3,2-b]pyridin-3-yl}ethan-1-amine dihydrochloride

$$$$ Data

M. F.

C9H13Cl2N3

Suppliers	Catalog Number
Bide Pharmatech	BD251115

Database	Data ID
PubChem	71607292

M. W.

234.12562

CAS

27311-25-7

Similarity

N/A

ID: 293222

4-methoxy-5-nitro-2-(trifluoromethyl)pyridine

$$$$ Data

M. F.

C7H5F3N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD251212
A&J Pharmtech	AJA-O1629

Database	Data ID
PubChem	71607286

M. W.

222.1214096

CAS

Similarity

N/A

ID: 293223

tert-butyl 4-(pyrimidin-4-yl)piperazine-1-carboxylate

$$$$ Data

M. F.

C13H20N4O2

Suppliers	Catalog Number
Bide Pharmatech	BD251255

Database	Data ID
PubChem	18468741

M. W.

264.3235

CAS

221050-89-1

Similarity

N/A

ID: 293224

2-bromo-1-(1,3-dimethyl-1H-pyrazol-5-yl)ethan-1-one

$$$$ Data

M. F.

C7H9BrN2O

Suppliers	Catalog Number
Bide Pharmatech	BD25129

Database	Data ID
PubChem	17750409

M. W.

217.06316

CAS

1015936-63-6

Similarity

N/A

ID: 293225

tert-butyl 3,6-diazabicyclo[3.1.0]hexane-3-carboxylate

$$$$ Data

M. F.

C9H16N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD251308
A&J Pharmtech	AJA-O3303

Database	Data ID
PubChem	71627128

M. W.

184.23554

CAS

1262407-18-0

Similarity

N/A

ID: 293226

4-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

$$$$ Data

M. F.

C10H14ClN

Suppliers	Catalog Number
Bide Pharmatech	BD251411

Database	Data ID
PubChem	13738935

M. W.

183.67786

CAS

111661-47-3

Similarity

N/A

ID: 293227

1H-pyrazolo[4,3-d]pyrimidin-7-amine

$$$$ Data

M. F.

C5H5N5

Suppliers	Catalog Number
Bide Pharmatech	BD251412

Database	Data ID
PubChem	96600

M. W.

135.1267

CAS

13877-56-0

Similarity

N/A

ID: 293228

tert-butyl 4-(2-cyano-4-nitrophenyl)piperazine-1-carboxylate

$$$$ Data

M. F.

C16H20N4O4

Suppliers	Catalog Number
Bide Pharmatech	BD251445

Database	Data ID
PubChem	22227995

M. W.

332.3544

CAS

288251-87-6

Similarity

N/A

ID: 293229

4-fluoro-1H-indol-6-amine

$$$$ Data

M. F.

C8H7FN2

Suppliers	Catalog Number
Bide Pharmatech	BD251468
A&J Pharmtech	AJA-O10

Database	Data ID
PubChem	24728023

M. W.

150.1529832

CAS

885518-26-3

Similarity

N/A

ID: 293230

ethyl 4-bromo-3-nitrobenzoate

$$$$ Data

M. F.

C9H8BrNO4

Suppliers	Catalog Number
Bide Pharmatech	BD251488

Database	Data ID
PubChem	458966

M. W.

274.06812

CAS

168473-87-8

Similarity

N/A

ID: 293231

8-bromoquinoline hydrochloride

$$$$ Data

M. F.

C9H7BrClN

Suppliers	Catalog Number
Bide Pharmatech	BD251508

Database	Data ID
PubChem	45789472

M. W.

244.51558

CAS

1081803-09-9

Similarity

N/A

ID: 293232

8-fluoroquinoline hydrochloride

$$$$ Data

M. F.

C9H7ClFN

Suppliers	Catalog Number
Bide Pharmatech	BD251514

Database	Data ID
PubChem	53217381

M. W.

183.6099832

CAS

311346-65-3

Similarity

N/A

ID: 293233

6-methylquinoline; sulfuric acid

$$$$ Data

M. F.

C10H11NO4S

Suppliers	Catalog Number
Bide Pharmatech	BD251515

Database	Data ID
PubChem	54759027

M. W.

241.26364

CAS

61255-60-5

Similarity

N/A

ID: 293234

9H-pyrido[3,4-b]indole-3-carbonitrile

$$$$ Data

M. F.

C12H7N3

Suppliers	Catalog Number
Bide Pharmatech	BD251573

Database	Data ID
PubChem	20059982

M. W.

193.20408

CAS

83911-48-2

Similarity

N/A

ID: 293235

(2-bromopyridin-4-yl)methanamine

$$$$ Data

M. F.

C6H7BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD25160

Database	Data ID
PubChem	29921604

M. W.

187.03718

CAS

858362-82-0

Similarity

N/A

ID: 293236

ethyl (2S)-2-amino-2-phenylacetate hydrochloride

$$$$ Data

M. F.

C10H14ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD251606

Database	Data ID
PubChem	12478775

M. W.

215.67666

CAS

59410-82-1

Similarity

N/A

ID: 293237

bis(6-bromoquinoline); sulfuric acid

$$$$ Data

M. F.

C18H14Br2N2O4S

Suppliers	Catalog Number
Bide Pharmatech	BD251628

Database	Data ID
PubChem	46738998

M. W.

514.18776

CAS

1072944-78-5

Similarity

N/A

ID: 293238

N-tert-butyl-4-methylbenzamide

$$$$ Data

M. F.

C12H17NO

Suppliers	Catalog Number
Bide Pharmatech	BD251670
A&J Pharmtech	AJA-O4198

Database	Data ID
PubChem	576940

M. W.

191.26948

CAS

42498-32-8

Similarity

N/A

ID: 293239

N-tert-butyl-4-chlorobenzamide

$$$$ Data

M. F.

C11H14ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD251671

Database	Data ID
PubChem	587347

M. W.

211.68796

CAS

42498-40-8

Similarity

N/A

ID: 293240

N,2-dimethylaniline hydrochloride

$$$$ Data

M. F.

C8H12ClN

Suppliers	Catalog Number
Bide Pharmatech	BD251683

Database	Data ID
PubChem	82714

M. W.

157.64058

CAS

10541-29-4

Similarity

N/A

ID: 293241

4-methoxy-N-methylaniline hydrochloride

$$$$ Data

M. F.

C8H12ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD251684

Database	Data ID
PubChem	18686577

M. W.

173.63998

CAS

10541-33-0

Similarity

N/A

ID: 293242

2-fluoro-N-methylaniline hydrochloride

$$$$ Data

M. F.

C7H9ClFN

Suppliers	Catalog Number
Bide Pharmatech	BD251685

Database	Data ID
PubChem	46739563

M. W.

161.6044632

CAS

1187386-14-6

Similarity

N/A

ID: 293243

3-chloro-N-methylaniline hydrochloride

$$$$ Data

M. F.

C7H9Cl2N

Suppliers	Catalog Number
Bide Pharmatech	BD251694
A&J Pharmtech	AJA-O3957

Database	Data ID
PubChem	21077794

M. W.

178.05906

CAS

152428-07-4

Similarity

N/A

ID: 293244

N,4-dimethylaniline hydrochloride

$$$$ Data

M. F.

C8H12ClN

Suppliers	Catalog Number
Bide Pharmatech	BD251695

Database	Data ID
PubChem	12266143

M. W.

157.64058

CAS

2739-05-1

Similarity

N/A

ID: 293245

2-chloro-N-methylaniline hydrochloride

$$$$ Data

M. F.

C7H9Cl2N

Suppliers	Catalog Number
Bide Pharmatech	BD251702

Database	Data ID
PubChem	46739562

M. W.

178.05906

CAS

1187385-64-3

Similarity

N/A

ID: 293246

3,4-dichloro-N-methylaniline hydrochloride

$$$$ Data

M. F.

C7H8Cl3N

Suppliers	Catalog Number
Bide Pharmatech	BD251703

Database	Data ID
PubChem	46739566

M. W.

212.50412

CAS

1187385-65-4

Similarity

N/A

ID: 293247

2-chloro-4-(2,2,2-trifluoroethoxy)pyridine

$$$$ Data

M. F.

C7H5ClF3NO

Suppliers	Catalog Number
Bide Pharmatech	BD25179
A&J Pharmtech	AJA-O30025

Database	Data ID
PubChem	51358479

M. W.

211.5689096

CAS

885277-01-0

Similarity

N/A

ID: 293248

tert-butyl N-(piperidin-3-yl)carbamate hydrochloride

$$$$ Data

M. F.

C10H21ClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD251983
A&J Pharmtech	AJA-O9348

Database	Data ID
PubChem	44891089

M. W.

236.73894

CAS

1159823-00-3

Similarity

N/A

ID: 293249

thieno[2,3-c]pyridine-2-carboxylic acid

$$$$ Data

M. F.

C8H5NO2S

Suppliers	Catalog Number
Bide Pharmatech	BD251989

Database	Data ID
PubChem	22047137

M. W.

179.1958

CAS

478149-00-7

Similarity

N/A

ID: 293250

bis(methyl 2-aminoacetate) hydrochloride

$$$$ Data

M. F.

C6H15ClN2O4

Suppliers	Catalog Number
Bide Pharmatech	BD251999
A&J Pharmtech	AJA-O2836

Database	Data ID
PubChem	71607335

M. W.

214.6473

CAS

883886-67-7

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