Chembase list of 866358 unique molecular structures

$$$$

M. F.

C11H11N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18750

Database

Data ID

M. W.

201.22454

CAS

126993-72-4

Similarity

N/A

ID: 802302

6-(trifluoromethyl)pyrazin-2-amine

$$$$

M. F.

C5H4F3N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18751

Database

Data ID

M. W.

163.1005696

CAS

69816-35-9

Similarity

N/A

ID: 802303

6-phenylpyrazin-2-amine

$$$$

M. F.

C10H9N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18754

Database

Data ID

M. W.

171.19856

CAS

41270-69-3

Similarity

N/A

ID: 802304

pyrazine-2-sulfonyl chloride

$$$$

M. F.

C4H3ClN2O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18755

Database

Data ID

M. W.

178.59682

CAS

184170-48-7

Similarity

N/A

ID: 802305

5-bromo-1H-pyrazole-3-carbaldehyde

$$$$

M. F.

C4H3BrN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18759

Database

Data ID

M. W.

174.98342

CAS

518357-37-4

Similarity

N/A

ID: 802306

5-(trifluoromethyl)-1H-pyrazole-3-carbaldehyde

$$$$

M. F.

C5H3F3N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18760

Database

Data ID

M. W.

164.0853296

CAS

591234-14-9

Similarity

N/A

ID: 802307

3-(chloromethyl)-1H-indazole

$$$$

M. F.

C8H7ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18762

Database

Data ID

M. W.

166.60758

CAS

98553-89-0

Similarity

N/A

ID: 802308

4-(trifluoromethyl)-1H-imidazole-2-carbaldehyde

$$$$

M. F.

C5H3F3N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18763 AJA-O20134

Database

Data ID

M. W.

164.0853296

CAS

102808-02-6

Similarity

N/A

ID: 802309

4-nitro-1H-imidazole-2-carbaldehyde

$$$$

M. F.

C4H3N3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18764

Database

Data ID

M. W.

141.08492

CAS

33543-81-6

Similarity

N/A

ID: 802310

4-iodo-1H-imidazole-2-carbaldehyde

$$$$

M. F.

C4H3IN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18765

Database

Data ID

M. W.

221.98389

CAS

82322-25-6

Similarity

N/A

ID: 802311

4-tert-butyl-1H-imidazol-2-amine

$$$$

M. F.

C7H13N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18767

Database

Data ID

M. W.

139.19822

CAS

82560-19-8

Similarity

N/A

ID: 802312

2-amino-4,5-dihydro-1H-imidazol-4-one

$$$$

M. F.

C3H5N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18768

Database

Data ID

M. W.

99.0913

CAS

503-86-6

Similarity

N/A

ID: 802313

2-phenyl-1H-imidazol-4-amine

$$$$

M. F.

C9H9N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18769

Database

Data ID

M. W.

159.18786

CAS

154535-79-2

Similarity

N/A

ID: 802314

ethyl 2-bromo-1H-imidazole-4-carboxylate

$$$$

M. F.

C6H7BrN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18770

Database

Data ID

M. W.

219.03598

CAS

74478-93-6

Similarity

N/A

ID: 802315

ethyl 2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate

$$$$

M. F.

C6H8N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18771

Database

Data ID

M. W.

156.13932

CAS

71123-14-3

Similarity

N/A

ID: 802316

2-tert-butyl-1H-imidazole-4-carbaldehyde

$$$$

M. F.

C8H12N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18772

Database

Data ID

M. W.

152.19368

CAS

68282-60-0

Similarity

N/A

ID: 802317

6-chloro-N-methylpyridin-3-amine

$$$$

M. F.

C6H7ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18774

Database

Data ID

M. W.

142.58618

CAS

120739-84-6

Similarity

N/A

ID: 802318

2-chloro-N-methylpyridin-4-amine

$$$$

M. F.

C6H7ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18776

Database

Data ID

M. W.

142.58618

CAS

66131-68-8

Similarity

N/A

ID: 802319

2-methoxy-N-methylpyridin-4-amine

$$$$

M. F.

C7H10N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18777

Database

Data ID

M. W.

138.1671

CAS

Similarity

N/A

ID: 802320

4-(methylamino)-1,2-dihydropyrimidin-2-one

$$$$

M. F.

C5H7N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18781

Database

Data ID

M. W.

125.12858

CAS

6220-47-9

Similarity

N/A

ID: 802321

(3S,4R)-4-phenylpyrrolidin-3-amine

$$$$

M. F.

C10H14N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18782

Database

Data ID

M. W.

162.23156

CAS

116169-51-8

Similarity

N/A

ID: 802322

(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-amine

$$$$

M. F.

C10H13FN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18783

Database

Data ID

M. W.

180.2220232

CAS

154206-03-8

Similarity

N/A

ID: 802323

tert-butyl N-{[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl}carbamate

$$$$

M. F.

C16H24N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18784

Database

Data ID

M. W.

276.37396

CAS

154206-10-7

Similarity

N/A

ID: 802324

(1-benzyl-4-phenylpyrrolidin-3-yl)methanaminium chloride

$$$$

M. F.

C18H23ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18785

Database

Data ID

M. W.

302.84162

CAS

154242-49-6

Similarity

N/A

ID: 802325

2-[4-(4-fluorophenyl)piperidin-1-yl]ethan-1-amine

$$$$

M. F.

C13H19FN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18786

Database

Data ID

M. W.

222.3017632

CAS

Similarity

N/A

ID: 802326

2-[4-(4-methoxyphenyl)piperidin-1-yl]ethan-1-amine

$$$$

M. F.

C14H22N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18787

Database

Data ID

M. W.

234.33728

CAS

Similarity

N/A

ID: 802327

2-[4-(4-chlorophenyl)piperidin-1-yl]ethan-1-amine

$$$$

M. F.

C13H19ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18788

Database

Data ID

M. W.

238.75636

CAS

Similarity

N/A

ID: 802328

2-(2-phenylpyrrolidin-1-yl)ethan-1-amine

$$$$

M. F.

C12H18N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18789

Database

Data ID

M. W.

190.28472

CAS

61695-05-4

Similarity

N/A

ID: 802329

N-(2-aminoethyl)-N-methylpyridin-2-amine

$$$$

M. F.

C8H13N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18790

Database

Data ID

M. W.

151.20892

CAS

93235-04-2

Similarity

N/A

ID: 802330

3-(pyridin-2-yloxy)propan-1-amine

$$$$

M. F.

C8H12N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18792

Database

Data ID

M. W.

152.19368

CAS

125767-31-9

Similarity

N/A

ID: 802331

methyl[2-(pyridin-2-yloxy)ethyl]amine

$$$$

M. F.

C8H12N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18793

Database

Data ID

M. W.

152.19368

CAS

29450-04-2

Similarity

N/A

ID: 802332

N-(2-bromoethyl)-N-methylaniline

$$$$

M. F.

C9H12BrN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18794

Database

Data ID

M. W.

214.10228

CAS

51905-47-6

Similarity

N/A

ID: 802333

2-(5-bromo-1H-1,3-benzodiazol-1-yl)ethan-1-amine

$$$$

M. F.

C9H10BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18796

Database

Data ID

M. W.

240.0998

CAS

Similarity

N/A

ID: 802334

indolizine-2-carbaldehyde

$$$$

M. F.

C9H7NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18797

Database

Data ID

M. W.

145.15798

CAS

944895-49-2

Similarity

N/A

ID: 802335

indolizine-3-carbaldehyde

$$$$

M. F.

C9H7NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18798

Database

Data ID

M. W.

145.15798

CAS

56671-63-7

Similarity

N/A

ID: 802336

2-(4-bromo-1H-1,3-benzodiazol-2-yl)ethan-1-amine

$$$$

M. F.

C9H10BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18799

Database

Data ID

M. W.

240.0998

CAS

3324-07-0

Similarity

N/A

ID: 802337

2-(6-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-amine

$$$$

M. F.

C9H10N4O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18800

Database

Data ID

M. W.

206.2013

CAS

4507-69-1

Similarity

N/A

ID: 802338

2-(2-aminoethyl)-1H-1,3-benzodiazole-6-carbonitrile

$$$$

M. F.

C10H10N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18801

Database

Data ID

M. W.

186.2132

CAS

237429-65-1

Similarity

N/A

ID: 802339

[(pyrrolidin-3-yl)methyl](2,2,2-trifluoroethyl)amine

$$$$

M. F.

C7H13F3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18803

Database

Data ID

M. W.

182.1867296

CAS

91188-06-6

Similarity

N/A

ID: 802340

4-(2,2,2-trifluoroethyl)phenol

$$$$

M. F.

C8H7F3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18804

Database

Data ID

M. W.

176.1357896

CAS

86571-21-3

Similarity

N/A

ID: 802341

(2S)-4,4-difluoropyrrolidine-2-carboxylic acid

$$$$

M. F.

C5H7F2NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18807

Database

Data ID

M. W.

151.1113864

CAS

52683-81-5

Similarity

N/A

ID: 802342

3-fluoroquinoline-4-carboxylic acid

$$$$

M. F.

C10H6FNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18809

Database

Data ID

M. W.

191.1585432

CAS

153880-32-1

Similarity

N/A

ID: 802343

[2-(4-benzylpiperazin-1-yl)ethyl](methyl)amine

$$$$

M. F.

C14H23N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18810

Database

Data ID

M. W.

233.35252

CAS

131502-30-2

Similarity

N/A

ID: 802344

tert-butyl 4-(3-chloropropyl)piperazine-1-carboxylate

$$$$

M. F.

C12H23ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18811

Database

Data ID

M. W.

262.77622

CAS

165530-45-0

Similarity

N/A

ID: 802345

4-(2-iodoethyl)morpholin-4-ium chloride

$$$$

M. F.

C6H13ClINO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18812

Database

Data ID

M. W.

277.53099

CAS

126200-24-6

Similarity

N/A

ID: 802346

2-bromo-1-(morpholin-4-yl)propan-1-one

$$$$

M. F.

C7H12BrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18813

Database

Data ID

M. W.

222.07968

CAS

2620-13-5

Similarity

N/A

ID: 802347

2-methoxy-1-(morpholin-4-yl)ethan-1-one

$$$$

M. F.

C7H13NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18814

Database

Data ID

M. W.

159.18302

CAS

647024-69-9

Similarity

N/A

ID: 802348

1-(morpholin-4-yl)propane-1,2-dione

$$$$

M. F.

C7H11NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18815

Database

Data ID

M. W.

157.16714

CAS

38382-92-2

Similarity

N/A

ID: 802349

(4-oxo-1,4-dihydroquinazolin-6-yl)boronic acid

$$$$

M. F.

C8H7BN2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18817

Database

Data ID

M. W.

189.96378

CAS

Similarity

N/A

ID: 802350

2-(quinazolin-4-yl)ethan-1-amine

$$$$

M. F.

C10H11N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18820

Database

Data ID

M. W.

173.21444

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