Chembase list of 866358 unique molecular structures

4-bromo-5-methoxy-2-nitro-N-(propan-2-yl)aniline

$$$$ Data

M. F.

C10H13BrN2O3

Suppliers	Catalog Number
Bide Pharmatech	BD229539

Database	Data ID
PubChem	54759019

M. W.

289.12582

CAS

1330750-43-0

Similarity

N/A

ID: 290502

2-bromo-4-[(4-methoxyphenyl)methyl]-6-nitroaniline

$$$$ Data

M. F.

C14H13BrN2O3

Suppliers	Catalog Number
Bide Pharmatech	BD229540

Database	Data ID
PubChem	54759053

M. W.

337.16862

CAS

1314987-29-5

Similarity

N/A

ID: 290503

2-(4-methylpiperidin-1-yl)benzonitrile

$$$$ Data

M. F.

C13H16N2

Suppliers	Catalog Number
Bide Pharmatech	BD229541

Database	Data ID
PubChem	14931104

M. W.

200.27954

CAS

158115-67-4

Similarity

N/A

ID: 290504

4-(4-nitrophenoxy)benzonitrile

$$$$ Data

M. F.

C13H8N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD229543

Database	Data ID
PubChem	167618

M. W.

240.21422

CAS

17076-68-5

Similarity

N/A

ID: 290505

4-fluoro-N-methyl-2-(trifluoromethyl)aniline hydrochloride

$$$$ Data

M. F.

C8H8ClF4N

Suppliers	Catalog Number
Bide Pharmatech	BD229624

Database	Data ID
PubChem	53216829

M. W.

229.6024328

CAS

1215205-13-2

Similarity

N/A

ID: 290506

5-bromo-4-methyl-2-nitroaniline

$$$$ Data

M. F.

C7H7BrN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD229625

Database	Data ID
PubChem	4349575

M. W.

231.04668

CAS

40371-63-9

Similarity

N/A

ID: 290507

5-bromo-N-tert-butyl-2-nitroaniline

$$$$ Data

M. F.

C10H13BrN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD229626

Database	Data ID
PubChem	54759057

M. W.

273.12642

CAS

1163707-73-0

Similarity

N/A

ID: 290508

[1-(4-bromophenyl)cyclopropyl]methanamine

$$$$ Data

M. F.

C10H12BrN

Suppliers	Catalog Number
Bide Pharmatech	BD229628
A&J Pharmtech	AJA-O30718

Database	Data ID
PubChem	28937846

M. W.

226.11298

CAS

771583-34-7

Similarity

N/A

ID: 290509

N-(6-bromonaphthalen-2-yl)-2-hydroxy-2-methylpropanamide

$$$$ Data

M. F.

C14H14BrNO2

Suppliers	Catalog Number
Bide Pharmatech	BD229631

Database	Data ID
PubChem	53216854

M. W.

308.17046

CAS

1215206-72-6

Similarity

N/A

ID: 290510

benzyl N-[1-(3-chlorophenyl)cyclopropyl]carbamate

$$$$ Data

M. F.

C17H16ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD229632

Database	Data ID
PubChem	53216856

M. W.

301.76744

CAS

1255574-39-0

Similarity

N/A

ID: 290511

4-fluoro-5-methoxy-2-nitroaniline

$$$$ Data

M. F.

C7H7FN2O3

Suppliers	Catalog Number
Bide Pharmatech	BD229633

Database	Data ID
PubChem	53216869

M. W.

186.1404832

CAS

125163-12-4

Similarity

N/A

ID: 290512

benzyl 3-{[(benzyloxy)carbonyl]amino}pyridine-2-carboxylate

$$$$ Data

M. F.

C21H18N2O4

Suppliers	Catalog Number
Bide Pharmatech	BD229636

Database	Data ID
PubChem	53216880

M. W.

362.37862

CAS

1228956-95-3

Similarity

N/A

ID: 290513

benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate

$$$$ Data

M. F.

C17H16FNO2

Suppliers	Catalog Number
Bide Pharmatech	BD229637

Database	Data ID
PubChem	53216887

M. W.

285.3128432

CAS

1255574-62-9

Similarity

N/A

ID: 290514

1-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-2-one

$$$$ Data

M. F.

C12H11BrF3NO

Suppliers	Catalog Number
Bide Pharmatech	BD229638

Database	Data ID
PubChem	53216889

M. W.

322.1210496

CAS

1257665-19-2

Similarity

N/A

ID: 290515

1-(5-bromo-2-methylphenyl)piperidin-2-one

$$$$ Data

M. F.

C12H14BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD229639

Database	Data ID
PubChem	43806233

M. W.

268.14966

CAS

1157455-49-6

Similarity

N/A

ID: 290516

1-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-2-one

$$$$ Data

M. F.

C12H11BrF3NO

Suppliers	Catalog Number
Bide Pharmatech	BD229640

Database	Data ID
PubChem	53216891

M. W.

322.1210496

CAS

1257664-90-6

Similarity

N/A

ID: 290517

3-butoxy-2-ethoxypyridine

$$$$ Data

M. F.

C11H17NO2

Suppliers	Catalog Number
Bide Pharmatech	BD229641

Database	Data ID
PubChem	54758826

M. W.

195.25818

CAS

1305322-93-3

Similarity

N/A

ID: 290518

1-(2-bromophenyl)pyrrolidine

$$$$ Data

M. F.

C10H12BrN

Suppliers	Catalog Number
Bide Pharmatech	BD229642

Database	Data ID
PubChem	13231827

M. W.

226.11298

CAS

87698-81-5

Similarity

N/A

ID: 290519

1-(5-bromo-2-methylphenyl)pyrrolidin-2-one

$$$$ Data

M. F.

C11H12BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD229643

Database	Data ID
PubChem	43806232

M. W.

254.12308

CAS

1157775-71-7

Similarity

N/A

ID: 290520

1-(2-bromo-5-fluorophenyl)pyrrolidin-2-one

$$$$ Data

M. F.

C10H9BrFNO

Suppliers	Catalog Number
Bide Pharmatech	BD229644

Database	Data ID
PubChem	53216895

M. W.

258.0869632

CAS

1280786-54-0

Similarity

N/A

ID: 290521

1-(2-methoxyphenyl)piperidine

$$$$ Data

M. F.

C12H17NO

Suppliers	Catalog Number
Bide Pharmatech	BD229645

Database	Data ID
PubChem	231965

M. W.

191.26948

CAS

5181-06-6

Similarity

N/A

ID: 290522

2-methyl-2-[3-(trifluoromethyl)phenyl]propan-1-amine hydrochloride

$$$$ Data

M. F.

C11H15ClF3N

Suppliers	Catalog Number
Bide Pharmatech	BD229646

Database	Data ID
PubChem	57455740

M. W.

253.6917096

CAS

959139-62-9

Similarity

N/A

ID: 290523

[1-(2-fluorophenyl)cyclobutyl]methanamine hydrochloride

$$$$ Data

M. F.

C11H15ClFN

Suppliers	Catalog Number
Bide Pharmatech	BD229648

Database	Data ID
PubChem	46835517

M. W.

215.6949032

CAS

1228879-43-3

Similarity

N/A

ID: 290524

3-bromo-N-butyl-5-(trifluoromethyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C11H13BrF3NO2S

Suppliers	Catalog Number
Bide Pharmatech	BD229675

Database	Data ID
PubChem	46738699

M. W.

360.1906296

CAS

1020252-83-8

Similarity

N/A

ID: 290525

6-bromo-2-methylpyridine-3-carbonitrile

$$$$ Data

M. F.

C7H5BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD229718

Database	Data ID
PubChem	29919361

M. W.

197.032

CAS

1003711-39-4

Similarity

N/A

ID: 290526

3,5-bis(methylsulfanyl)pyridine

$$$$ Data

M. F.

C7H9NS2

Suppliers	Catalog Number
Bide Pharmatech	BD229727

Database	Data ID
PubChem	12489855

M. W.

171.28306

CAS

70999-08-5

Similarity

N/A

ID: 290527

1-[4-bromo-3-(trifluoromethyl)phenyl]pyrrolidin-2-one

$$$$ Data

M. F.

C11H9BrF3NO

Suppliers	Catalog Number
Bide Pharmatech	BD229702

Database	Data ID
PubChem	53216934

M. W.

308.0944696

CAS

1261994-99-3

Similarity

N/A

ID: 290528

1-(5-bromo-2-fluorophenyl)pyrrolidin-2-one

$$$$ Data

M. F.

C10H9BrFNO

Suppliers	Catalog Number
Bide Pharmatech	BD229703

Database	Data ID
PubChem	17964833

M. W.

258.0869632

CAS

628692-07-9

Similarity

N/A

ID: 290529

3-(4-aminophenyl)-N-methylbenzamide

$$$$ Data

M. F.

C14H14N2O

Suppliers	Catalog Number
Bide Pharmatech	BD229705

Database	Data ID
PubChem	54758776

M. W.

226.27376

CAS

1335041-46-7

Similarity

N/A

ID: 290530

3-(4-aminophenyl)-N,N-dimethylbenzamide

$$$$ Data

M. F.

C15H16N2O

Suppliers	Catalog Number
Bide Pharmatech	BD229706

Database	Data ID
PubChem	54758775

M. W.

240.30034

CAS

1335041-49-0

Similarity

N/A

ID: 290531

4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline

$$$$ Data

M. F.

C13H9F4N

Suppliers	Catalog Number
Bide Pharmatech	BD229707

Database	Data ID
PubChem	26597797

M. W.

255.2108728

CAS

942474-96-6

Similarity

N/A

ID: 290532

4-(3-nitrophenyl)benzonitrile

$$$$ Data

M. F.

C13H8N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD229710

Database	Data ID
PubChem	12065661

M. W.

224.21482

CAS

39117-72-1

Similarity

N/A

ID: 290533

3-(3-nitrophenyl)benzonitrile

$$$$ Data

M. F.

C13H8N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD229711

Database	Data ID
PubChem	23005005

M. W.

224.21482

CAS

192699-67-5

Similarity

N/A

ID: 290534

1-(2-methylphenyl)-3-nitrobenzene

$$$$ Data

M. F.

C13H11NO2

Suppliers	Catalog Number
Bide Pharmatech	BD229714

Database	Data ID
PubChem	4463174

M. W.

213.23194

CAS

51264-60-9

Similarity

N/A

ID: 290535

4-(2-nitrophenyl)benzoic acid

$$$$ Data

M. F.

C13H9NO4

Suppliers	Catalog Number
Bide Pharmatech	BD229716

Database	Data ID
PubChem	10538171

M. W.

243.21486

CAS

3215-92-7

Similarity

N/A

ID: 290536

1-bromo-4-(butane-1-sulfonyl)benzene

$$$$ Data

M. F.

C10H13BrO2S

Suppliers	Catalog Number
Bide Pharmatech	BD229782

Database	Data ID
PubChem	21612705

M. W.

277.17802

CAS

403793-28-2

Similarity

N/A

ID: 290537

6-bromo-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine

$$$$ Data

M. F.

C8H7BrFNO

Suppliers	Catalog Number
Bide Pharmatech	BD229783

Database	Data ID
PubChem	54758737

M. W.

232.0496832

CAS

1256255-94-3

Similarity

N/A

ID: 290538

2-bromo-6-(pyrrolidin-1-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

$$$$ Data

M. F.

C15H22BBrN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD229785

Database	Data ID
PubChem	46739361

M. W.

353.06238

CAS

1150271-64-9

Similarity

N/A

ID: 290539

N-[4-nitro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

$$$$ Data

M. F.

C14H19BN2O5

Suppliers	Catalog Number
Bide Pharmatech	BD229786

Database	Data ID
PubChem	46739409

M. W.

306.12206

CAS

1150271-73-0

Similarity

N/A

ID: 290540

benzyl N-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate

$$$$ Data

M. F.

C19H23BN2O4

Suppliers	Catalog Number
Bide Pharmatech	BD229787

Database	Data ID
PubChem	53217213

M. W.

354.20792

CAS

1218790-32-9

Similarity

N/A

ID: 290541

1-(4-bromobenzenesulfonyl)-2-methyl-1H-imidazole

$$$$ Data

M. F.

C10H9BrN2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD229730

Database	Data ID
PubChem	804701

M. W.

301.15966

CAS

324776-97-8

Similarity

N/A

ID: 290542

1-(3-bromobenzenesulfonyl)azetidine

$$$$ Data

M. F.

C9H10BrNO2S

Suppliers	Catalog Number
Bide Pharmatech	BD229732

Database	Data ID
PubChem	46739229

M. W.

276.1502

CAS

1133116-29-6

Similarity

N/A

ID: 290543

2-bromo-1-methyl-4-trifluoromethanesulfonylbenzene

$$$$ Data

M. F.

C8H6BrF3O2S

Suppliers	Catalog Number
Bide Pharmatech	BD229736

Database	Data ID
PubChem	46739387

M. W.

303.0962496

CAS

1133116-35-4

Similarity

N/A

ID: 290544

4-bromo-2-(tert-butoxy)-1-nitrobenzene

$$$$ Data

M. F.

C10H12BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD229738

Database	Data ID
PubChem	46739497

M. W.

274.11118

CAS

1187386-34-0

Similarity

N/A

ID: 290545

3-bromo-N-tert-butyl-N-methylbenzene-1-sulfonamide

$$$$ Data

M. F.

C11H16BrNO2S

Suppliers	Catalog Number
Bide Pharmatech	BD229740

Database	Data ID
PubChem	46739713

M. W.

306.21924

CAS

1187386-30-6

Similarity

N/A

ID: 290546

2-bromo-4-fluoro-1-methanesulfonylbenzene

$$$$ Data

M. F.

C7H6BrFO2S

Suppliers	Catalog Number
Bide Pharmatech	BD229750

Database	Data ID
PubChem	53216984

M. W.

253.0887432

CAS

1039744-23-4

Similarity

N/A

ID: 290547

2-bromo-4-methanesulfonyl-1-methylbenzene

$$$$ Data

M. F.

C8H9BrO2S

Suppliers	Catalog Number
Bide Pharmatech	BD229753

Database	Data ID
PubChem	53216987

M. W.

249.12486

CAS

702672-96-6

Similarity

N/A

ID: 290548

1-bromo-4-(cyclopropanesulfonyl)benzene

$$$$ Data

M. F.

C9H9BrO2S

Suppliers	Catalog Number
Bide Pharmatech	BD229758

Database	Data ID
PubChem	54758735

M. W.

261.13556

CAS

648906-28-9

Similarity

N/A

ID: 290549

1-bromo-2-chloro-5-fluoro-4-nitrobenzene

$$$$ Data

M. F.

C6H2BrClFNO2

Suppliers	Catalog Number
Bide Pharmatech	BD229759
A&J Pharmtech	AJA-O2122

Database	Data ID
PubChem	10400105

M. W.

254.4409832

CAS

1027833-17-5

Similarity

N/A

ID: 290550

5-methyl-2-(piperazin-1-yl)benzonitrile

$$$$ Data

M. F.

C12H15N3

Suppliers	Catalog Number
Bide Pharmatech	BD229762

Database	Data ID
PubChem	53217055

M. W.

201.2676

CAS

1211529-31-5

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