Chembase list of 866358 unique molecular structures

ID: 120501

$$$$ Data

M. F.

C14H12N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-0351

Database	Data ID
PubChem	721026

M. W.

224.25788

CAS

Similarity

N/A

ID: 120502

2-(3-chlorophenyl)-1,3-benzoxazol-5-amine

$$$$ Data

M. F.

C13H9ClN2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-0354

Database	Data ID
PubChem	721061

M. W.

244.67636

CAS

Similarity

N/A

ID: 120503

2-[2-(prop-2-en-1-yl)phenoxymethyl]oxirane

$$$$ Data

M. F.

C12H14O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-0355
Enamine	EN300-22505

Database	Data ID
PubChem	98437

M. W.

190.23836

CAS

Similarity

N/A

ID: 120504

2-amino-4-(butan-2-yl)phenol

$$$$ Data

M. F.

C10H15NO

Suppliers	Catalog Number
InterBioScreen	BB_SC-0358

Database	Data ID
PubChem	100028

M. W.

165.2322

CAS

Similarity

N/A

ID: 120505

1-butoxy-3-(piperidin-1-yl)propan-2-ol

$$$$ Data

M. F.

C12H25NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-0363

Database	Data ID
PubChem	566700

M. W.

215.3324

CAS

Similarity

N/A

ID: 120506

4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline

$$$$ Data

M. F.

C15H13ClN2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-0366

Database	Data ID
PubChem	721872

M. W.

272.72952

CAS

Similarity

N/A

ID: 120507

5-(2-ethylphenoxymethyl)-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C11H13N3OS

Suppliers	Catalog Number
InterBioScreen	BB_SC-0368

Database	Data ID
PubChem	936578

M. W.

235.30542

CAS

Similarity

N/A

ID: 120508

6-methyl-2-[4-(propan-2-yl)phenyl]-2H-1,2,3-benzotriazol-5-amine

$$$$ Data

M. F.

C16H18N4

Suppliers	Catalog Number
InterBioScreen	BB_SC-0377

Database	Data ID
PubChem	783917

M. W.

266.34092

CAS

Similarity

N/A

ID: 120509

2-[(oxiran-2-ylmethoxy)methyl]furan

$$$$ Data

M. F.

C8H10O3

Suppliers	Catalog Number
Sigma Aldrich	325481
InterBioScreen	BB_SC-0379

Database	Data ID
PubChem	94306

M. W.

154.1632

CAS

5380-87-0

Similarity

N/A

ID: 120510

zinc(2+) ion 2-(carboxymethyl)-2-formylbutanedioate

$$$$ Data

M. F.

C7H6O7Zn

Suppliers	Catalog Number
InterBioScreen	BB_SC-0381

Database	Data ID
PubChem	2771915

M. W.

267.49834

CAS

Similarity

N/A

ID: 120511

2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-amine

$$$$ Data

M. F.

C13H8Cl2N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-0384

Database	Data ID
PubChem	721079

M. W.

279.12142

CAS

Similarity

N/A

ID: 120512

2-(naphthalen-1-yl)-2H-1,2,3-benzotriazol-5-amine

$$$$ Data

M. F.

C16H12N4

Suppliers	Catalog Number
InterBioScreen	BB_SC-0388

Database	Data ID
PubChem	721129

M. W.

260.29328

CAS

Similarity

N/A

ID: 120513

2-{[2-(oxiran-2-ylmethoxy)ethoxy]methyl}oxirane

$$$$ Data

M. F.

C8H14O4

Suppliers	Catalog Number
Alfa Aesar	H60812
InterBioScreen	BB_SC-0391

Database	Data ID
PubChem	16683

M. W.

174.19436

CAS

2224-15-9

Similarity

N/A

ID: 120514

2-amino-4-tert-butylphenol

$$$$ Data More

M. F.

C10H15NO

Suppliers	Catalog Number
Sigma Aldrich	193283
Alfa Aesar	B22964
InterBioScreen	BB_SC-0395

Database	Data ID
PubChem	70982

M. W.

165.2322

CAS

1199-46-8

Similarity

N/A

ID: 120515

2-(3-bromophenyl)-1,3-benzoxazol-5-amine

$$$$ Data

M. F.

C13H9BrN2O

Suppliers	Catalog Number
ChemBridge	5250071
InterBioScreen	BB_SC-0396

Database	Data ID
PubChem	721069

M. W.

289.12736

CAS

293737-81-2

Similarity

N/A

ID: 120516

4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol

$$$$ Data

M. F.

C15H14N2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-0400

Database	Data ID
PubChem	5408882

M. W.

254.28386

CAS

Similarity

N/A

ID: 120517

2-(2-chlorophenyl)-1,3-benzoxazol-5-amine

$$$$ Data

M. F.

C13H9ClN2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-0407

Database	Data ID
PubChem	659630

M. W.

244.67636

CAS

Similarity

N/A

ID: 120518

3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one

$$$$ Data

M. F.

C7H12N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-0412

Database	Data ID
PubChem	929974

M. W.

140.18298

CAS

Similarity

N/A

ID: 120519

2-chloro-3-(4-nitrophenyl)propanenitrile

$$$$ Data

M. F.

C9H7ClN2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-0413
Enamine	EN300-04323

Database	Data ID
PubChem	64831

M. W.

210.61708

CAS

17849-31-9

Similarity

N/A

ID: 120520

N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide

$$$$ Data

M. F.

C16H17NO4S

Suppliers	Catalog Number
InterBioScreen	BB_SC-0419

Database	Data ID
PubChem	2771918

M. W.

319.37548

CAS

Similarity

N/A

ID: 120521

2-(2-bromophenyl)-1,3-benzoxazol-5-amine

$$$$ Data

M. F.

C13H9BrN2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-0433

Database	Data ID
PubChem	721066

M. W.

289.12736

CAS

Similarity

N/A

ID: 120522

4-phenyl-1,2,3,4-tetrahydronaphthalen-1-one

$$$$ Data

M. F.

C16H14O

Suppliers	Catalog Number
InterBioScreen	BB_SC-0436

Database	Data ID
PubChem	296800

M. W.

222.28176

CAS

Similarity

N/A

ID: 120523

5-[4-(propan-2-yl)phenoxymethyl]-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C12H15N3OS

Suppliers	Catalog Number
InterBioScreen	BB_SC-0439

Database	Data ID
PubChem	933320

M. W.

249.332

CAS

Similarity

N/A

ID: 120524

dipotassium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate

$$$$ Data

M. F.

C20H6Br4K2O5

Suppliers	Catalog Number
InterBioScreen	BB_SC-0446

Database	Data ID
PubChem	12598436

M. W.

724.07124

CAS

Similarity

N/A

ID: 120525

2-amino-4-(propan-2-yl)phenol

$$$$ Data

M. F.

C9H13NO

Suppliers	Catalog Number
ChemBridge	4030757
InterBioScreen	BB_SC-0452
Bide Pharmatech	BD216477

Database	Data ID
PubChem	662440

M. W.

151.20562

CAS

3280-68-0

Similarity

N/A

ID: 120526

1-(furan-2-ylmethoxy)-3-(pyrrolidin-1-yl)propan-2-ol

$$$$ Data

M. F.

C12H19NO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-0453

Database	Data ID
PubChem	2771920

M. W.

225.28416

CAS

Similarity

N/A

ID: 120527

(2E)-3-(benzylcarbamoyl)prop-2-enoic acid

$$$$ Data

M. F.

C11H11NO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-0458

Database	Data ID
PubChem	716464

M. W.

205.20994

CAS

Similarity

N/A

ID: 120528

5-(1-phenoxypropyl)-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C11H13N3OS

Suppliers	Catalog Number
InterBioScreen	BB_SC-0460

Database	Data ID
PubChem	2771921

M. W.

235.30542

CAS

Similarity

N/A

ID: 120529

6-bromo-2-methylquinoline-4-thiol

$$$$ Data

M. F.

C10H8BrNS

Suppliers	Catalog Number
InterBioScreen	BB_SC-0462

Database	Data ID
PubChem	790334

M. W.

254.14622

CAS

Similarity

N/A

ID: 120530

2-phenyl-1,3-benzoxazol-5-amine

$$$$ Data

M. F.

C13H10N2O

Suppliers	Catalog Number
ChemBridge	5546320
InterBioScreen	BB_SC-0466

Database	Data ID
PubChem	721059

M. W.

210.2313

CAS

41373-37-9

Similarity

N/A

ID: 120531

4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)aniline

$$$$ Data

M. F.

C15H13ClN2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-0468

Database	Data ID
PubChem	721035

M. W.

272.72952

CAS

Similarity

N/A

ID: 120532

ethyl 5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate

$$$$ Data

M. F.

C14H17NO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-0471

Database	Data ID
PubChem	684086

M. W.

247.28968

CAS

Similarity

N/A

ID: 120533

2-(4-ethylphenyl)-2H-1,2,3-benzotriazol-5-amine

$$$$ Data

M. F.

C14H14N4

Suppliers	Catalog Number
InterBioScreen	BB_SC-0473

Database	Data ID
PubChem	741102

M. W.

238.28776

CAS

Similarity

N/A

ID: 120534

(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione

$$$$ Data

M. F.

C9H10O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-0474

Database	Data ID
PubChem	11953727

M. W.

166.1739

CAS

Similarity

N/A

ID: 120535

4-(4-benzoylpiperazin-1-yl)-3-chloroaniline

$$$$ Data

M. F.

C17H18ClN3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-0476

Database	Data ID
PubChem	805199

M. W.

315.79732

CAS

Similarity

N/A

ID: 120536

(3E)-4-(4-bromophenyl)but-3-en-2-one

$$$$ Data

M. F.

C10H9BrO

Suppliers	Catalog Number
InterBioScreen	BB_SC-0478

Database	Data ID
PubChem	968918

M. W.

225.08186

CAS

Similarity

N/A

ID: 120537

6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-amine

$$$$ Data

M. F.

C13H12N4

Suppliers	Catalog Number
InterBioScreen	BB_SC-0483

Database	Data ID
PubChem	614180

M. W.

224.26118

CAS

Similarity

N/A

ID: 120538

5-(2,2-diphenylethyl)-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C16H15N3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-0485

Database	Data ID
PubChem	937067

M. W.

281.3754

CAS

Similarity

N/A

ID: 120539

2-hydroxy-N-methylbenzamide

$$$$ Data

M. F.

C8H9NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-0487
Enamine	EN300-38931

Database	Data ID
PubChem	74624

M. W.

151.16256

CAS

1862-88-0

Similarity

N/A

ID: 120540

N-(4-amino-2-methoxyphenyl)pentanamide

$$$$ Data

M. F.

C12H18N2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-0494

Database	Data ID
PubChem	1988730

M. W.

222.28352

CAS

Similarity

N/A

ID: 120541

3-(5,7-dimethyl-1,3-benzoxazol-2-yl)aniline

$$$$ Data

M. F.

C15H14N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-0495

Database	Data ID
PubChem	721040

M. W.

238.28446

CAS

Similarity

N/A

ID: 120542

3-(1,3-benzoxazol-2-yl)-4-chloroaniline

$$$$ Data

M. F.

C13H9ClN2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-0497

Database	Data ID
PubChem	721037

M. W.

244.67636

CAS

Similarity

N/A

ID: 120543

2-[(carboxymethyl)[(2,6-dihydroxyphenyl)methyl]amino]acetic acid

$$$$ Data

M. F.

C11H13NO6

Suppliers	Catalog Number
InterBioScreen	BB_SC-0505

Database	Data ID
PubChem	1832616

M. W.

255.22402

CAS

Similarity

N/A

ID: 120544

5,5-dimethyl-3-(oxiran-2-ylmethyl)imidazolidine-2,4-dione

$$$$ Data

M. F.

C8H12N2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-0508

Database	Data ID
PubChem	2771923

M. W.

184.19248

CAS

Similarity

N/A

ID: 120545

4-(4-benzoylpiperazin-1-yl)aniline

$$$$ Data

M. F.

C17H19N3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-0510

Database	Data ID
PubChem	781570

M. W.

281.35226

CAS

Similarity

N/A

ID: 120546

5-({[(3-bromophenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C10H10BrN3S2

Suppliers	Catalog Number
InterBioScreen	BB_SC-0512

Database	Data ID
PubChem	936718

M. W.

316.2405

CAS

Similarity

N/A

ID: 120547

6-(2,5-dioxopyrrolidin-1-yl)hexanoic acid

$$$$ Data

M. F.

C10H15NO4

Suppliers	Catalog Number
InterBioScreen	BB_SC-0515

Database	Data ID
PubChem	303580

M. W.

213.2304

CAS

Similarity

N/A

ID: 120548

2-phenyl-1,3-dioxane-4,6-dione

$$$$ Data

M. F.

C10H8O4

Suppliers	Catalog Number
InterBioScreen	BB_SC-0517

Database	Data ID
PubChem	933829

M. W.

192.16812

CAS

Similarity

N/A

ID: 120549

11-methyl-13-sulfanyl-1,8-diazatricyclo[7.4.0.0²,⁷]trideca...

$$$$ Data

M. F.

C13H9N3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-0520
Enamine	EN300-05224

Database	Data ID
PubChem	930950

M. W.

239.29566

CAS

Similarity

N/A

ID: 120550

12-benzyl-13-chloro-11-methyl-1,8-diazatricyclo[7.4.0.0²,⁷...

$$$$ Data

M. F.

C20H14ClN3

Suppliers	Catalog Number
InterBioScreen	BB_SC-0523

Database	Data ID
PubChem	726787

M. W.

331.79826

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