Chembase list of 866358 unique molecular structures

ethyl 4-[(1E)-(hydroxyimino)methyl]-1-phenyl-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C13H13N3O3

Suppliers	Catalog Number
Enamine	EN300-44234

Database	Data ID
PubChem	42962777

M. W.

259.26062

CAS

Similarity

N/A

ID: 260002

2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one

$$$$ Data

M. F.

C11H8N4O

Suppliers	Catalog Number
Enamine	EN300-44235

Database	Data ID
PubChem	28811439

M. W.

212.20742

CAS

Similarity

N/A

ID: 260003

3-(pyrimidin-2-ylsulfanyl)propanoic acid

$$$$ Data

M. F.

C7H8N2O2S

Suppliers	Catalog Number
Enamine	EN300-44236

Database	Data ID
PubChem	9484413

M. W.

184.21562

CAS

Similarity

N/A

ID: 260004

2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C12H7BrFNO3

Suppliers	Catalog Number
Enamine	EN300-44237

Database	Data ID
PubChem	16794286

M. W.

312.0912832

CAS

Similarity

N/A

ID: 260005

2-(2-bromophenoxy)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C12H8BrNO3

Suppliers	Catalog Number
Enamine	EN300-44238

Database	Data ID
PubChem	24707324

M. W.

294.10082

CAS

Similarity

N/A

ID: 260006

5-sulfamoyl-2-[3-(trifluoromethyl)phenyl]benzoic acid

$$$$ Data

M. F.

C14H10F3NO4S

Suppliers	Catalog Number
Enamine	EN300-44239

Database	Data ID
PubChem	16768723

M. W.

345.2937096

CAS

Similarity

N/A

ID: 260007

5-(methylsulfamoyl)-2-(thiophen-2-yl)benzoic acid

$$$$ Data

M. F.

C12H11NO4S2

Suppliers	Catalog Number
Enamine	EN300-44241

Database	Data ID
PubChem	16768837

M. W.

297.35004

CAS

Similarity

N/A

ID: 260008

5-(methylsulfamoyl)-2-[2-(trifluoromethoxy)phenyl]benzoic acid

$$$$ Data

M. F.

C15H12F3NO5S

Suppliers	Catalog Number
Enamine	EN300-44242

Database	Data ID
PubChem	16768786

M. W.

375.3196896

CAS

Similarity

N/A

ID: 260009

2-(3,4-dichlorophenyl)-5-(methylsulfamoyl)benzoic acid

$$$$ Data

M. F.

C14H11Cl2NO4S

Suppliers	Catalog Number
Enamine	EN300-44243

Database	Data ID
PubChem	16768877

M. W.

360.21244

CAS

Similarity

N/A

ID: 260010

3-{[3-(trifluoromethyl)phenyl]methyl}azetidine hydrochloride

$$$$ Data

M. F.

C11H13ClF3N

Suppliers	Catalog Number
Enamine	EN300-44244

Database	Data ID
PubChem	45791476

M. W.

251.6758296

CAS

Similarity

N/A

ID: 260011

(1-phenyl-1H-pyrazol-3-yl)methanamine hydrochloride

$$$$ Data

M. F.

C10H12ClN3

Suppliers	Catalog Number
Enamine	EN300-44246

Database	Data ID
PubChem	42958596

M. W.

209.67538

CAS

Similarity

N/A

ID: 260012

4-{[(4-fluorophenyl)methyl]amino}butanoic acid hydrochloride

$$$$ Data

M. F.

C11H15ClFNO2

Suppliers	Catalog Number
Enamine	EN300-44248

Database	Data ID
PubChem	45791477

M. W.

247.6937032

CAS

Similarity

N/A

ID: 260013

2-[(4-methoxyphenyl)methoxy]acetic acid

$$$$ Data

M. F.

C10H12O4

Suppliers	Catalog Number
Enamine	EN300-44251
Bide Pharmatech	BD35335

Database	Data ID
PubChem	10856393

M. W.

196.19988

CAS

88920-24-5

Similarity

N/A

ID: 260014

1-(4-chlorophenyl)-4-methylpentan-1-amine

$$$$ Data

M. F.

C12H18ClN

Suppliers	Catalog Number
Enamine	EN300-44253

Database	Data ID
PubChem	43096678

M. W.

211.73102

CAS

Similarity

N/A

ID: 260015

2,2,2-trifluoroethyl N-ethylcarbamate

$$$$ Data

M. F.

C5H8F3NO2

Suppliers	Catalog Number
Enamine	EN300-44254

Database	Data ID
PubChem	45791478

M. W.

171.1177296

CAS

Similarity

N/A

ID: 260016

2-azidocyclohexan-1-ol

$$$$ Data

M. F.

C6H11N3O

Suppliers	Catalog Number
Enamine	EN300-44256

Database	Data ID
PubChem	10953608

M. W.

141.17104

CAS

Similarity

N/A

ID: 260017

4-(4-phenylpiperazin-1-yl)butan-1-amine hydrochloride

$$$$ Data

M. F.

C14H24ClN3

Suppliers	Catalog Number
Enamine	EN300-44259

Database	Data ID
PubChem	45791479

M. W.

269.81346

CAS

Similarity

N/A

ID: 260018

adamantan-1-ylmethyl N-ethylcarbamate

$$$$ Data

M. F.

C14H23NO2

Suppliers	Catalog Number
Enamine	EN300-44262

Database	Data ID
PubChem	3788973

M. W.

237.33792

CAS

Similarity

N/A

ID: 260019

6-(4-phenoxyphenoxy)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C18H13NO4

Suppliers	Catalog Number
Enamine	EN300-44264

Database	Data ID
PubChem	45791480

M. W.

307.30012

CAS

Similarity

N/A

ID: 260020

1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C11H10BrNO3

Suppliers	Catalog Number
Enamine	EN300-44267

Database	Data ID
PubChem	24275238

M. W.

284.106

CAS

Similarity

N/A

ID: 260021

2-hydroxy-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile

$$$$ Data

M. F.

C8H5N3O

Suppliers	Catalog Number
Enamine	EN300-44268

Database	Data ID
PubChem	44303099

M. W.

159.1448

CAS

32501-04-5

Similarity

N/A

ID: 260022

2-amino-4-chloro-N-(propan-2-yl)benzamide

$$$$ Data

M. F.

C10H13ClN2O

Suppliers	Catalog Number
Enamine	EN300-44269

Database	Data ID
PubChem	14274444

M. W.

212.67602

CAS

Similarity

N/A

ID: 260023

2-amino-4-chloro-N-ethylbenzamide

$$$$ Data

M. F.

C9H11ClN2O

Suppliers	Catalog Number
Enamine	EN300-44271

Database	Data ID
PubChem	16778301

M. W.

198.64944

CAS

Similarity

N/A

ID: 260024

6-(2-bromophenoxy)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C12H8BrNO3

Suppliers	Catalog Number
Enamine	EN300-44272

Database	Data ID
PubChem	24698818

M. W.

294.10082

CAS

Similarity

N/A

ID: 260025

7-(hydroxymethyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

$$$$ Data

M. F.

C8H8N2O2S

Suppliers	Catalog Number
Enamine	EN300-44273

Database	Data ID
PubChem	16769741

M. W.

196.22632

CAS

Similarity

N/A

ID: 260026

7-(hydroxymethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

$$$$ Data

M. F.

C7H6N2O2S

Suppliers	Catalog Number
Enamine	EN300-44274

Database	Data ID
PubChem	13105852

M. W.

182.19974

CAS

Similarity

N/A

ID: 260027

6-(4-bromophenoxy)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C12H8BrNO3

Suppliers	Catalog Number
Enamine	EN300-44277

Database	Data ID
PubChem	16790199

M. W.

294.10082

CAS

Similarity

N/A

ID: 260028

5-(ethylsulfamoyl)-2-fluorobenzoic acid

$$$$ Data

M. F.

C9H10FNO4S

Suppliers	Catalog Number
Enamine	EN300-44278

Database	Data ID
PubChem	1252098

M. W.

247.2434032

CAS

Similarity

N/A

ID: 260029

2-(3-amino-4-fluorophenyl)-1λ⁶,2-thiazolidine-1,1-dione hydrochlorid...

$$$$ Data

M. F.

C9H12ClFN2O2S

Suppliers	Catalog Number
Enamine	EN300-44279

Database	Data ID
PubChem	45791481

M. W.

266.7201832

CAS

Similarity

N/A

ID: 260030

2,3-diamino-5-fluorobenzoic acid

$$$$ Data

M. F.

C7H7FN2O2

Suppliers	Catalog Number
Enamine	EN300-44280

Database	Data ID
PubChem	22411129

M. W.

170.1410832

CAS

Similarity

N/A

ID: 260031

8a-methyl-5-oxo-hexahydro-[1,3]thiazolo[2,3-c]thiomorpholine-3-carboxylic acid

$$$$ Data

M. F.

C8H11NO3S2

Suppliers	Catalog Number
Enamine	EN300-44281

Database	Data ID
PubChem	45791482

M. W.

233.30784

CAS

Similarity

N/A

ID: 260032

4-[2-(diethylamino)ethoxy]benzoic acid hydrochloride

$$$$ Data

M. F.

C13H20ClNO3

Suppliers	Catalog Number
Enamine	EN300-44282

Database	Data ID
PubChem	42937492

M. W.

273.7558

CAS

Similarity

N/A

ID: 260033

2-(1,1-dioxo-1λ⁶-thiolane-3-sulfonamido)acetic acid

$$$$ Data

M. F.

C6H11NO6S2

Suppliers	Catalog Number
Enamine	EN300-44283

Database	Data ID
PubChem	16770330

M. W.

257.28464

CAS

Similarity

N/A

ID: 260034

2-amino-1-(4-methylpiperazin-1-yl)ethan-1-one dihydrochloride

$$$$ Data

M. F.

C7H17Cl2N3O

Suppliers	Catalog Number
Enamine	EN300-44284

Database	Data ID
PubChem	2756499

M. W.

230.13538

CAS

146788-11-6

Similarity

N/A

ID: 260035

N-methyl-N-phenylpiperidin-4-amine dihydrochloride

$$$$ Data

M. F.

C12H20Cl2N2

Suppliers	Catalog Number
Enamine	EN300-44285

Database	Data ID
PubChem	45791483

M. W.

263.2066

CAS

Similarity

N/A

ID: 260036

2-(N-methyl5-bromofuran-2-amido)benzoic acid

$$$$ Data

M. F.

C13H10BrNO4

Suppliers	Catalog Number
Enamine	EN300-44286

Database	Data ID
PubChem	16782908

M. W.

324.1268

CAS

Similarity

N/A

ID: 260037

3-(4-bromobenzamido)benzoic acid

$$$$ Data

M. F.

C14H10BrNO3

Suppliers	Catalog Number
Enamine	EN300-44288

Database	Data ID
PubChem	3746491

M. W.

320.1381

CAS

Similarity

N/A

ID: 260038

2-[(5-bromopyridin-2-yl)sulfanyl]benzoic acid

$$$$ Data

M. F.

C12H8BrNO2S

Suppliers	Catalog Number
Enamine	EN300-44290

Database	Data ID
PubChem	24695050

M. W.

310.16642

CAS

Similarity

N/A

ID: 260039

2-[2-(5-bromofuran-2-amido)-1,3-thiazol-4-yl]acetic acid

$$$$ Data

M. F.

C10H7BrN2O4S

Suppliers	Catalog Number
Enamine	EN300-44292

Database	Data ID
PubChem	16781000

M. W.

331.14258

CAS

Similarity

N/A

ID: 260040

1-amino-N-methylcyclohexane-1-carboxamide hydrochloride

$$$$ Data

M. F.

C8H17ClN2O

Suppliers	Catalog Number
Enamine	EN300-44293

Database	Data ID
PubChem	45791484

M. W.

192.68638

CAS

Similarity

N/A

ID: 260041

3-(chlorosulfonyl)-4-(propan-2-yl)benzoic acid

$$$$ Data

M. F.

C10H11ClO4S

Suppliers	Catalog Number
Enamine	EN300-44294
A&J Pharmtech	AJA-O17123

Database	Data ID
PubChem	309510

M. W.

262.70994

CAS

59815-29-1

Similarity

N/A

ID: 260042

N-methyl-3-oxo-N-phenylbutanamide

$$$$ Data

M. F.

C11H13NO2

Suppliers	Catalog Number
Enamine	EN300-44295

Database	Data ID
PubChem	75751

M. W.

191.22642

CAS

Similarity

N/A

ID: 260043

2-(2,6-difluorophenyl)ethan-1-amine

$$$$ Data

M. F.

C8H9F2N

Suppliers	Catalog Number
Enamine	EN300-44296

Database	Data ID
PubChem	3746111

M. W.

157.1605664

CAS

17291-90-6

Similarity

N/A

ID: 260044

2-(3-chlorophenyl)pyrrolidine

$$$$ Data

M. F.

C10H12ClN

Suppliers	Catalog Number
Enamine	EN300-44297
A&J Pharmtech	AJA-O34123

Database	Data ID
PubChem	4579806

M. W.

181.66198

CAS

298690-74-1

Similarity

N/A

ID: 260045

1-(4-tert-butylphenyl)-2,2,2-trifluoroethan-1-amine

$$$$ Data

M. F.

C12H16F3N

Suppliers	Catalog Number
Enamine	EN300-44298
A&J Pharmtech	AJA-O24880

Database	Data ID
PubChem	43198115

M. W.

231.2573496

CAS

886369-21-7

Similarity

N/A

ID: 260046

3-(1H-1,3-benzodiazole-5-amido)benzoic acid

$$$$ Data

M. F.

C15H11N3O3

Suppliers	Catalog Number
Enamine	EN300-44299

Database	Data ID
PubChem	24693603

M. W.

281.26614

CAS

Similarity

N/A

ID: 260047

3-[(2E)-3-(thiophen-2-yl)prop-2-enamido]benzoic acid

$$$$ Data

M. F.

C14H11NO3S

Suppliers	Catalog Number
Enamine	EN300-44300

Database	Data ID
PubChem	24689954

M. W.

273.30704

CAS

Similarity

N/A

ID: 260048

5,6,7,8-tetrahydroquinolin-6-amine dihydrochloride

$$$$ Data

M. F.

C9H14Cl2N2

Suppliers	Catalog Number
Enamine	EN300-44312

Database	Data ID
PubChem	54592444

M. W.

221.12686

CAS

Similarity

N/A

ID: 260049

1-(isoquinolin-5-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C13H8N2O2

Suppliers	Catalog Number
Enamine	EN300-44329

Database	Data ID
PubChem	43807329

M. W.

224.21482

CAS

Similarity

N/A

ID: 260050

1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C10H8N2O2

Suppliers	Catalog Number
Enamine	EN300-44336

Database	Data ID
PubChem	240617

M. W.

188.18272

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