Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C9H9BrN2

Suppliers	Catalog Number
Apollo Scientific	OR40141

Database	Data ID
PubChem	44119469

M. W.

225.08516

CAS

Similarity

N/A

ID: 88202

6-bromo-2,3-dimethyl-2H-indazole

$$$$ Data

M. F.

C9H9BrN2

Suppliers	Catalog Number
Apollo Scientific	OR40142

Database	Data ID
PubChem	44119470

M. W.

225.08516

CAS

Similarity

N/A

ID: 88203

6-bromo-2,4-dimethyl-2H-indazole

$$$$ Data

M. F.

C9H9BrN2

Suppliers	Catalog Number
Apollo Scientific	OR40143

Database	Data ID
PubChem	44119471

M. W.

225.08516

CAS

Similarity

N/A

ID: 88204

6-bromo-2,5-dimethyl-2H-indazole

$$$$ Data

M. F.

C9H9BrN2

Suppliers	Catalog Number
Apollo Scientific	OR40144

Database	Data ID
PubChem	44119472

M. W.

225.08516

CAS

Similarity

N/A

ID: 88205

7-bromo-2,3-dimethyl-2H-indazole

$$$$ Data

M. F.

C9H9BrN2

Suppliers	Catalog Number
Apollo Scientific	OR40145

Database	Data ID
PubChem	44119473

M. W.

225.08516

CAS

Similarity

N/A

ID: 88206

(3-methyl-1H-indazol-4-yl)boronic acid

$$$$ Data

M. F.

C8H9BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40146

Database	Data ID
PubChem	44119474

M. W.

175.98026

CAS

Similarity

N/A

ID: 88207

(6-methyl-1H-indazol-4-yl)boronic acid

$$$$ Data

M. F.

C8H9BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40148

Database	Data ID
PubChem	44119476

M. W.

175.98026

CAS

Similarity

N/A

ID: 88208

(7-methyl-1H-indazol-4-yl)boronic acid

$$$$ Data

M. F.

C8H9BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40149

Database	Data ID
PubChem	44119477

M. W.

175.98026

CAS

Similarity

N/A

ID: 88209

(6-methyl-1H-indazol-5-yl)boronic acid

$$$$ Data

M. F.

C8H9BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40152

Database	Data ID
PubChem	44119480

M. W.

175.98026

CAS

Similarity

N/A

ID: 88210

(4-methyl-1H-indazol-6-yl)boronic acid

$$$$ Data

M. F.

C8H9BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40154

Database	Data ID
PubChem	44119482

M. W.

175.98026

CAS

Similarity

N/A

ID: 88211

(3-methyl-1H-indazol-7-yl)boronic acid

$$$$ Data

M. F.

C8H9BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40155

Database	Data ID
PubChem	44119484

M. W.

175.98026

CAS

Similarity

N/A

ID: 88212

(5-methyl-1H-indazol-6-yl)boronic acid

$$$$ Data

M. F.

C8H9BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40156

Database	Data ID
PubChem	44119483

M. W.

175.98026

CAS

Similarity

N/A

ID: 88213

(1,3-dimethyl-1H-indazol-4-yl)boronic acid

$$$$ Data

M. F.

C9H11BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40157

Database	Data ID
PubChem	44119486

M. W.

190.00684

CAS

Similarity

N/A

ID: 88214

(1,5-dimethyl-1H-indazol-4-yl)boronic acid

$$$$ Data

M. F.

C9H11BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40158

Database	Data ID
PubChem	44119487

M. W.

190.00684

CAS

Similarity

N/A

ID: 88215

(1,6-dimethyl-1H-indazol-4-yl)boronic acid

$$$$ Data

M. F.

C9H11BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40159

Database	Data ID
PubChem	44119488

M. W.

190.00684

CAS

Similarity

N/A

ID: 88216

2-amino-9H-purine-6-thiol

$$$$ Data More

M. F.

C5H5N5S

Suppliers	Catalog Number
MP Biomedicals	05210093
Alfa Aesar	B21280
Apollo Scientific	OR4016

Database	Data ID
PubChem	2723601

M. W.

167.1917

CAS

154-42-7

Similarity

N/A

ID: 88217

(1,7-dimethyl-1H-indazol-4-yl)boronic acid

$$$$ Data

M. F.

C9H11BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40160

Database	Data ID
PubChem	44119489

M. W.

190.00684

CAS

Similarity

N/A

ID: 88218

(1,3-dimethyl-1H-indazol-5-yl)boronic acid

$$$$ Data

M. F.

C9H11BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40161

Database	Data ID
PubChem	44119490

M. W.

190.00684

CAS

Similarity

N/A

ID: 88219

(1,4-dimethyl-1H-indazol-5-yl)boronic acid

$$$$ Data

M. F.

C9H11BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40162

Database	Data ID
PubChem	44119491

M. W.

190.00684

CAS

Similarity

N/A

ID: 88220

(1,6-dimethyl-1H-indazol-5-yl)boronic acid

$$$$ Data

M. F.

C9H11BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40163

Database	Data ID
PubChem	44119492

M. W.

190.00684

CAS

Similarity

N/A

ID: 88221

(1,7-dimethyl-1H-indazol-5-yl)boronic acid

$$$$ Data

M. F.

C9H11BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40164

Database	Data ID
PubChem	44119493

M. W.

190.00684

CAS

Similarity

N/A

ID: 88222

(1,3-dimethyl-1H-indazol-6-yl)boronic acid

$$$$ Data

M. F.

C9H11BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40165

Database	Data ID
PubChem	44119494

M. W.

190.00684

CAS

Similarity

N/A

ID: 88223

(1,4-dimethyl-1H-indazol-6-yl)boronic acid

$$$$ Data

M. F.

C9H11BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40166

Database	Data ID
PubChem	44119495

M. W.

190.00684

CAS

Similarity

N/A

ID: 88224

(1,5-dimethyl-1H-indazol-6-yl)boronic acid

$$$$ Data

M. F.

C9H11BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40167

Database	Data ID
PubChem	44119496

M. W.

190.00684

CAS

Similarity

N/A

ID: 88225

(1,3-dimethyl-1H-indazol-7-yl)boronic acid

$$$$ Data

M. F.

C9H11BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40168

Database	Data ID
PubChem	44119497

M. W.

190.00684

CAS

Similarity

N/A

ID: 88226

2,3-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole

$$$$ Data

M. F.

C15H21BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40169

Database	Data ID
PubChem	44119503

M. W.

272.15044

CAS

Similarity

N/A

ID: 88227

1-{1H,2H,3H,4H-pyrido[4,3-b]1,6-naphthyridin-2-yl}ethan-1-one

$$$$ Data

M. F.

C13H13N3O

Suppliers	Catalog Number
Apollo Scientific	OR4017

Database	Data ID
PubChem	5124151

M. W.

227.26182

CAS

Similarity

N/A

ID: 88228

2,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole

$$$$ Data

M. F.

C15H21BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40170

Database	Data ID
PubChem	44119504

M. W.

272.15044

CAS

Similarity

N/A

ID: 88229

2,6-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole

$$$$ Data

M. F.

C15H21BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40171

Database	Data ID
PubChem	44119505

M. W.

272.15044

CAS

Similarity

N/A

ID: 88230

2,7-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole

$$$$ Data

M. F.

C15H21BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40172

Database	Data ID
PubChem	44119506

M. W.

272.15044

CAS

Similarity

N/A

ID: 88231

2,3-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole

$$$$ Data

M. F.

C15H21BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40173

Database	Data ID
PubChem	44119507

M. W.

272.15044

CAS

Similarity

N/A

ID: 88232

2,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole

$$$$ Data

M. F.

C15H21BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40174

Database	Data ID
PubChem	44119508

M. W.

272.15044

CAS

Similarity

N/A

ID: 88233

2,6-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole

$$$$ Data

M. F.

C15H21BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40175

Database	Data ID
PubChem	44119509

M. W.

272.15044

CAS

Similarity

N/A

ID: 88234

2,7-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole

$$$$ Data

M. F.

C15H21BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40176

Database	Data ID
PubChem	44119510

M. W.

272.15044

CAS

Similarity

N/A

ID: 88235

2,3-dimethyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole

$$$$ Data

M. F.

C15H21BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40177

Database	Data ID
PubChem	44119511

M. W.

272.15044

CAS

Similarity

N/A

ID: 88236

2,4-dimethyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole

$$$$ Data

M. F.

C15H21BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40178

Database	Data ID
PubChem	44119512

M. W.

272.15044

CAS

Similarity

N/A

ID: 88237

2,5-dimethyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole

$$$$ Data

M. F.

C15H21BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40179

Database	Data ID
PubChem	44119513

M. W.

272.15044

CAS

Similarity

N/A

ID: 88238

1-{6H,7H,8H,9H-pyrido[2,3-b]1,6-naphthyridin-7-yl}ethan-1-one

$$$$ Data

M. F.

C13H13N3O

Suppliers	Catalog Number
Apollo Scientific	OR4018

Database	Data ID
PubChem	4139529

M. W.

227.26182

CAS

Similarity

N/A

ID: 88239

2,3-dimethyl-7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole

$$$$ Data

M. F.

C15H21BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40180

Database	Data ID
PubChem	44119514

M. W.

272.15044

CAS

Similarity

N/A

ID: 88240

benzene

$$$$ Data More

M. F.

C6H6

Suppliers	Catalog Number
Sigma Aldrich	644498 156302 12550 (more...)
MP Biomedicals	02300019 02193879 02300019X
Alfa Aesar	43817 33291 33290 (more...)

Database	Data ID
Wikipedia	Benzene
PubChem	241

M. W.

78.11184

CAS

71-43-2

Similarity

N/A

ID: 88241

4-nonylphenol

$$$$ Data More

M. F.

C15H24O

Suppliers	Catalog Number
Sigma Aldrich	290858 46018 46405 (more...)
MP Biomedicals	05213157
Alfa Aesar	A15609

Database	Data ID
Wikipedia	1-Nonyl-4-phenol
PubChem	1752

M. W.

220.35046

CAS

25154-52-3

Similarity

N/A

ID: 88242

(3,4-dimethoxyphenyl)(phenyl)methanone

$$$$ Data

M. F.

C15H14O3

Suppliers	Catalog Number
Apollo Scientific	OR40183
Bide Pharmatech	BD28641
A&J Pharmtech	AJA-O9719

Database	Data ID
PubChem	286742

M. W.

242.26986

CAS

4038-14-6

Similarity

N/A

ID: 88243

6-bromo-1H-imidazo[4,5-b]pyridine

$$$$ Data More

M. F.

C6H4BrN3

Suppliers	Catalog Number
Sigma Aldrich	732273
Apollo Scientific	OR40185
Enamine	EN300-85316

Database	Data ID
PubChem	911578

M. W.

198.02006

CAS

28279-49-4

Similarity

N/A

ID: 88244

6-bromo-[1,2,5]oxadiazolo[3,4-b]pyridine

$$$$ Data

M. F.

C5H2BrN3O

Suppliers	Catalog Number
Apollo Scientific	OR40186

Database	Data ID
PubChem	44119517

M. W.

199.99288

CAS

Similarity

N/A

ID: 88245

6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyridine

$$$$ Data

M. F.

C11H14BN3O3

Suppliers	Catalog Number
Sigma Aldrich	716227
Apollo Scientific	OR40187

Database	Data ID
PubChem	44119518

M. W.

247.05816

CAS

1218790-54-5

Similarity

N/A

ID: 88246

7-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-b]pyrazine

$$$$ Data

M. F.

C13H16BN3O2

Suppliers	Catalog Number
Sigma Aldrich	715476
Apollo Scientific	OR40188

Database	Data ID
PubChem	44119519

M. W.

257.09604

CAS

1210047-44-1

Similarity

N/A

ID: 88247

4,6-dimethyl-2-(methylamino)pyridine-3-carboxamide

$$$$ Data

M. F.

C9H13N3O

Suppliers	Catalog Number
Apollo Scientific	OR4019

Database	Data ID
PubChem	11805325

M. W.

179.21902

CAS

Similarity

N/A

ID: 88248

5,6-dimethylpyridin-2-amine

$$$$ Data

M. F.

C7H10N2

Suppliers	Catalog Number
Apollo Scientific	OR40193
TRC	A607640

Database	Data ID
PubChem	262484

M. W.

122.1677

CAS

57963-08-3

Similarity

N/A

ID: 88249

imidazo[1,5-a]pyridine

$$$$ Data

M. F.

C7H6N2

Suppliers	Catalog Number
Apollo Scientific	OR40194
Bide Pharmatech	BD26867

Database	Data ID
PubChem	274090

M. W.

118.13594

CAS

274-47-5

Similarity

N/A

ID: 88250

(dimethyl-1,2-oxazol-4-yl)methanamine

$$$$ Data More

M. F.

C6H10N2O

Suppliers	Catalog Number
ChemBridge	4100665
Apollo Scientific	OR40198
Chemik	CHH219304

Database	Data ID
PubChem	11018874

M. W.

126.1564

CAS

131052-47-6

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