Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C6H4Cl2N2O

Suppliers	Catalog Number
Bide Pharmatech	BD241450
A&J Pharmtech	AJA-O9241

Database	Data ID
PubChem	225522

M. W.

191.01476

CAS

5468-71-3

Similarity

N/A

ID: 292602

5-fluoropyridin-2-yl trifluoromethanesulfonate

$$$$ Data

M. F.

C6H3F4NO3S

Suppliers	Catalog Number
Bide Pharmatech	BD241451

Database	Data ID
PubChem	70701023

M. W.

245.1515328

CAS

1310559-95-5

Similarity

N/A

ID: 292603

3-fluoropyridin-2-yl trifluoromethanesulfonate

$$$$ Data

M. F.

C6H3F4NO3S

Suppliers	Catalog Number
Bide Pharmatech	BD241452

Database	Data ID
PubChem	70701022

M. W.

245.1515328

CAS

1310559-92-2

Similarity

N/A

ID: 292604

2-ethynyl-6-fluoropyridine

$$$$ Data

M. F.

C7H4FN

Suppliers	Catalog Number
Bide Pharmatech	BD241453

Database	Data ID
PubChem	58574354

M. W.

121.1117632

CAS

1233205-73-6

Similarity

N/A

ID: 292605

7-bromo-2,3-dihydro-1,3-benzothiazol-2-one

$$$$ Data

M. F.

C7H4BrNOS

Suppliers	Catalog Number
Bide Pharmatech	BD241454

Database	Data ID
PubChem	70701021

M. W.

230.08176

CAS

1188047-07-5

Similarity

N/A

ID: 292606

4-bromo-1H-indole-2-carbaldehyde

$$$$ Data

M. F.

C9H6BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD241455

Database	Data ID
PubChem	70701020

M. W.

224.05404

CAS

1368231-70-2

Similarity

N/A

ID: 292607

7-bromo-1H-indole-2-carbaldehyde

$$$$ Data

M. F.

C9H6BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD241456

Database	Data ID
PubChem	44720801

M. W.

224.05404

CAS

53590-66-2

Similarity

N/A

ID: 292608

6-fluoro-1H-indole-2-carbaldehyde

$$$$ Data

M. F.

C9H6FNO

Suppliers	Catalog Number
Bide Pharmatech	BD241457

Database	Data ID
PubChem	53427730

M. W.

163.1484432

CAS

933746-81-7

Similarity

N/A

ID: 292609

6-methyl-1H-indole-2-carbaldehyde

$$$$ Data

M. F.

C10H9NO

Suppliers	Catalog Number
Bide Pharmatech	BD241458

Database	Data ID
PubChem	820975

M. W.

159.18456

CAS

56813-20-8

Similarity

N/A

ID: 292610

(7-bromo-1H-indol-2-yl)methanol

$$$$ Data

M. F.

C9H8BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD241459

Database	Data ID
PubChem	44720770

M. W.

226.06992

CAS

53590-63-9

Similarity

N/A

ID: 292611

5-methyl-2,3-dihydro-1,3-benzothiazol-2-one

$$$$ Data

M. F.

C8H7NOS

Suppliers	Catalog Number
Bide Pharmatech	BD241460

Database	Data ID
PubChem	2801506

M. W.

165.21228

CAS

40925-61-9

Similarity

N/A

ID: 292612

5-nitro-2,3-dihydro-1,3-benzothiazol-2-one

$$$$ Data

M. F.

C7H4N2O3S

Suppliers	Catalog Number
Bide Pharmatech	BD241461

Database	Data ID
PubChem	579063

M. W.

196.18326

CAS

62386-22-5

Similarity

N/A

ID: 292613

6-benzyl-3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine

$$$$ Data

M. F.

C15H15BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD241462

Database	Data ID
PubChem	44630586

M. W.

303.197

CAS

1000576-67-9

Similarity

N/A

ID: 292614

tert-butyl 4-methylpyrimidine-2-carboxylate

$$$$ Data

M. F.

C10H14N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241467

Database	Data ID
PubChem	70701018

M. W.

194.23036

CAS

446313-59-3

Similarity

N/A

ID: 292615

4-methylpyrimidine-2-carboxamide

$$$$ Data

M. F.

C6H7N3O

Suppliers	Catalog Number
Bide Pharmatech	BD241468

Database	Data ID
PubChem	58742271

M. W.

137.13928

CAS

1330754-32-9

Similarity

N/A

ID: 292616

6-chloro-3-(trifluoromethyl)pyridine-2-carbonitrile

$$$$ Data

M. F.

C7H2ClF3N2

Suppliers	Catalog Number
Bide Pharmatech	BD241469

Database	Data ID
PubChem	22028216

M. W.

206.5523896

CAS

401590-41-8

Similarity

N/A

ID: 292617

6-chloro-3-(trifluoromethyl)pyridine-2-carbaldehyde

$$$$ Data

M. F.

C7H3ClF3NO

Suppliers	Catalog Number
Bide Pharmatech	BD241471

Database	Data ID
PubChem	70701017

M. W.

209.5530296

CAS

1245914-65-1

Similarity

N/A

ID: 292618

6-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid

$$$$ Data

M. F.

C7H3ClF3NO2

Suppliers	Catalog Number
Bide Pharmatech	BD241472

Database	Data ID
PubChem	70701016

M. W.

225.5524296

CAS

855915-21-8

Similarity

N/A

ID: 292619

methyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylate

$$$$ Data

M. F.

C8H5ClF3NO2

Suppliers	Catalog Number
Bide Pharmatech	BD241473

Database	Data ID
PubChem	70701015

M. W.

239.5790096

CAS

1211518-35-2

Similarity

N/A

ID: 292620

ethyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylate

$$$$ Data

M. F.

C9H7ClF3NO2

Suppliers	Catalog Number
Bide Pharmatech	BD241474

Database	Data ID
PubChem	70701014

M. W.

253.6055896

CAS

850864-57-2

Similarity

N/A

ID: 292621

1H,2H-[1,3]oxazolo[5,4-b]pyridin-2-one

$$$$ Data

M. F.

C6H4N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241475

Database	Data ID
PubChem	10953568

M. W.

136.10816

CAS

118767-92-3

Similarity

N/A

ID: 292622

2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylic acid

$$$$ Data

M. F.

C10H5F2NO2S

Suppliers	Catalog Number
Bide Pharmatech	BD241495

Database	Data ID
PubChem	18351478

M. W.

241.2140064

CAS

262589-15-1

Similarity

N/A

ID: 292623

methyl 1-amino-3-methyl-1H-pyrrole-2-carboxylate

$$$$ Data

M. F.

C7H10N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241496

Database	Data ID
PubChem	45082090

M. W.

154.1665

CAS

529508-55-2

Similarity

N/A

ID: 292624

1-amino-3-methyl-1H-pyrrole-2-carbonitrile

$$$$ Data

M. F.

C6H7N3

Suppliers	Catalog Number
Bide Pharmatech	BD241498

Database	Data ID
PubChem	21945859

M. W.

121.13988

CAS

310430-89-8

Similarity

N/A

ID: 292625

methyl 4-iodo-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C5H5IN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241500

Database	Data ID
PubChem	15126157

M. W.

252.00987

CAS

136944-79-1

Similarity

N/A

ID: 292626

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

$$$$ Data

M. F.

C6H7IN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241501

Database	Data ID
PubChem	2828047

M. W.

266.03645

CAS

179692-08-1

Similarity

N/A

ID: 292627

[1,3]oxazolo[5,4-b]pyridin-2-amine dihydrochloride

$$$$ Data

M. F.

C6H7Cl2N3O

Suppliers	Catalog Number
Bide Pharmatech	BD241477

Database	Data ID
PubChem	70701013

M. W.

208.04528

CAS

909854-99-5

Similarity

N/A

ID: 292628

2-chloro-[1,3]oxazolo[4,5-b]pyridine

$$$$ Data

M. F.

C6H3ClN2O

Suppliers	Catalog Number
Bide Pharmatech	BD241479

Database	Data ID
PubChem	22028724

M. W.

154.55382

CAS

325976-45-2

Similarity

N/A

ID: 292629

1H,2H-[1,3]oxazolo[5,4-b]pyridine-2-thione

$$$$ Data

M. F.

C6H4N2OS

Suppliers	Catalog Number
Bide Pharmatech	BD241480

Database	Data ID
PubChem	10012097

M. W.

152.17376

CAS

169205-99-6

Similarity

N/A

ID: 292630

2-methyl-[1,2,4]triazolo[1,5-a]pyridine

$$$$ Data

M. F.

C7H7N3

Suppliers	Catalog Number
Bide Pharmatech	BD241481

Database	Data ID
PubChem	583715

M. W.

133.15058

CAS

768-19-4

Similarity

N/A

ID: 292631

6-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine

$$$$ Data

M. F.

C6H5ClN4

Suppliers	Catalog Number
Bide Pharmatech	BD241482

Database	Data ID
PubChem	70701012

M. W.

168.5837

CAS

20914-72-1

Similarity

N/A

ID: 292632

8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine

$$$$ Data

M. F.

C6H5ClN4

Suppliers	Catalog Number
Bide Pharmatech	BD241483

Database	Data ID
PubChem	70701011

M. W.

168.5837

CAS

20914-71-0

Similarity

N/A

ID: 292633

tert-butyl 3-({[(benzyloxy)carbonyl]amino}methyl)azetidine-1-carboxylate

$$$$ Data

M. F.

C17H24N2O4

Suppliers	Catalog Number
Bide Pharmatech	BD241485

Database	Data ID
PubChem	45072305

M. W.

320.38346

CAS

876149-42-7

Similarity

N/A

ID: 292634

5-chloro-6-hydroxy-2-methyl-4,5-dihydropyrimidin-4-one

$$$$ Data

M. F.

C5H5ClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241486

Database	Data ID
PubChem	73994932

M. W.

160.5584

CAS

1194-76-9

Similarity

N/A

ID: 292635

4,5-dichloro-2-methylpyrimidine

$$$$ Data

M. F.

C5H4Cl2N2

Suppliers	Catalog Number
Bide Pharmatech	BD241487

Database	Data ID
PubChem	22596016

M. W.

163.00466

CAS

26740-71-6

Similarity

N/A

ID: 292636

1-aminobutan-2-one

$$$$ Data

M. F.

C4H9NO

Suppliers	Catalog Number
Bide Pharmatech	BD241488

Database	Data ID
PubChem	11607913

M. W.

87.12036

CAS

77369-28-9

Similarity

N/A

ID: 292637

tert-butyl N-(2-oxobutyl)carbamate

$$$$ Data

M. F.

C9H17NO3

Suppliers	Catalog Number
Bide Pharmatech	BD241489

Database	Data ID
PubChem	21479394

M. W.

187.23618

CAS

400045-86-5

Similarity

N/A

ID: 292638

1H-pyrrolo[3,2-b]pyridine-5-carboxamide

$$$$ Data

M. F.

C8H7N3O

Suppliers	Catalog Number
Bide Pharmatech	BD241490

Database	Data ID
PubChem	9989527

M. W.

161.16068

CAS

146767-59-1

Similarity

N/A

ID: 292639

ethyl 1H-pyrrolo[3,2-b]pyridine-5-carboxylate

$$$$ Data

M. F.

C10H10N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241491

Database	Data ID
PubChem	70701010

M. W.

190.1986

CAS

1261433-14-0

Similarity

N/A

ID: 292640

5-bromo-6-(trifluoromethyl)-4,5-dihydropyrimidin-4-one

$$$$ Data

M. F.

C5H2BrF3N2O

Suppliers	Catalog Number
Bide Pharmatech	BD241492

Database	Data ID
PubChem	45025472

M. W.

242.9813896

CAS

126538-81-6

Similarity

N/A

ID: 292641

5-bromo-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-one

$$$$ Data

M. F.

C5H2BrF3N2O

Suppliers	Catalog Number
Bide Pharmatech	BD241494

Database	Data ID
PubChem	11817374

M. W.

242.9813896

CAS

785777-90-4

Similarity

N/A

ID: 292642

6-(benzenesulfonyl)-3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine

$$$$ Data

M. F.

C14H13BrN2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD241463

Database	Data ID
PubChem	70701019

M. W.

353.23422

CAS

625099-99-2

Similarity

N/A

ID: 292643

5-fluoro-1,2-benzoxazol-3-amine hydrochloride

$$$$ Data

M. F.

C7H6ClFN2O

Suppliers	Catalog Number
Bide Pharmatech	BD241465

Database	Data ID
PubChem	69315042

M. W.

188.5867432

CAS

916571-99-8

Similarity

N/A

ID: 292644

ethyl 4-methylpyrimidine-2-carboxylate

$$$$ Data

M. F.

C8H10N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241466
A&J Pharmtech	AJA-O36209

Database	Data ID
PubChem	68258114

M. W.

166.1772

CAS

1196156-62-3

Similarity

N/A

ID: 292645

ethyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate

$$$$ Data

M. F.

C17H15ClF3NO4

Suppliers	Catalog Number
Bide Pharmatech	BD241502

Database	Data ID
PubChem	13772704

M. W.

389.7535096

CAS

69806-42-4

Similarity

N/A

ID: 292646

[3-(benzyloxy)-1,2-oxazol-5-yl]methanol

$$$$ Data

M. F.

C11H11NO3

Suppliers	Catalog Number
Bide Pharmatech	BD241504

Database	Data ID
PubChem	5324208

M. W.

205.20994

CAS

123320-44-5

Similarity

N/A

ID: 292647

3-(benzyloxy)-1,2-oxazole-5-carboxylic acid

$$$$ Data

M. F.

C11H9NO4

Suppliers	Catalog Number
Bide Pharmatech	BD241505

Database	Data ID
PubChem	13626967

M. W.

219.19346

CAS

2552-54-7

Similarity

N/A

ID: 292648

8-nitro-2,3-dihydroquinoxalin-2-one

$$$$ Data

M. F.

C8H5N3O3

Suppliers	Catalog Number
Bide Pharmatech	BD241506

Database	Data ID
PubChem	73994933

M. W.

191.1436

CAS

73148-21-7

Similarity

N/A

ID: 292649

2-chloro-5-nitroquinoxaline

$$$$ Data

M. F.

C8H4ClN3O2

Suppliers	Catalog Number
Bide Pharmatech	BD241507

Database	Data ID
PubChem	70701009

M. W.

209.58926

CAS

55687-01-9

Similarity

N/A

ID: 292650

5-nitro-2,3-dihydroquinoxalin-2-one

$$$$ Data

M. F.

C8H5N3O3

Suppliers	Catalog Number
Bide Pharmatech	BD241508

Database	Data ID
PubChem	73994934

M. W.

191.1436

CAS

55687-20-2

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