Chembase list of 866358 unique molecular structures

3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoic acid

$$$$ Data

M. F.

C16H16N2O4

Suppliers	Catalog Number
Enamine	EN300-17280

Database	Data ID
PubChem	5139891

M. W.

300.30924

CAS

Similarity

N/A

ID: 251102

[(2E)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene]hydrazine

$$$$ Data

M. F.

C10H18N2

Suppliers	Catalog Number
Enamine	EN300-17287

Database	Data ID
PubChem	12526705

M. W.

166.26332

CAS

Similarity

N/A

ID: 251103

4-(4-methylphenoxy)aniline hydrochloride

$$$$ Data

M. F.

C13H14ClNO

Suppliers	Catalog Number
Enamine	EN300-17319

Database	Data ID
PubChem	6602993

M. W.

235.70936

CAS

Similarity

N/A

ID: 251104

3-aminobenzohydrazide

$$$$ Data

M. F.

C7H9N3O

Suppliers	Catalog Number
Alfa Aesar	A11491
Enamine	EN300-17375

Database	Data ID
PubChem	84178

M. W.

151.16586

CAS

14062-34-1

Similarity

N/A

ID: 251105

5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C13H10N2OS

Suppliers	Catalog Number
Enamine	EN300-17383

Database	Data ID
PubChem	731455

M. W.

242.2963

CAS

Similarity

N/A

ID: 251106

2-chloro-7-methoxy-4-phenylquinoline

$$$$ Data

M. F.

C16H12ClNO

Suppliers	Catalog Number
Enamine	EN300-17385

Database	Data ID
PubChem	2442209

M. W.

269.72558

CAS

Similarity

N/A

ID: 251107

5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione

$$$$ Data

M. F.

C10H8Cl2N2O2

Suppliers	Catalog Number
Enamine	EN300-17398

Database	Data ID
PubChem	47368

M. W.

259.08872

CAS

64464-19-3

Similarity

N/A

ID: 251108

4-[(E)-2-(4-aminophenyl)diazen-1-yl]aniline

$$$$ Data

M. F.

C12H12N4

Suppliers	Catalog Number
Alfa Aesar	L03743
Enamine	EN300-17405

Database	Data ID
PubChem	10855

M. W.

212.25048

CAS

538-41-0

Similarity

N/A

ID: 251109

6-methylimidazo[2,1-b][1,3]thiazole

$$$$ Data

M. F.

C6H6N2S

Suppliers	Catalog Number
Enamine	EN300-17423

Database	Data ID
PubChem	329946

M. W.

138.19024

CAS

Similarity

N/A

ID: 251110

N'-benzoyl-N'-phenylacetohydrazide

$$$$ Data

M. F.

C15H14N2O2

Suppliers	Catalog Number
Enamine	EN300-17425

Database	Data ID
PubChem	720239

M. W.

254.28386

CAS

70609-11-9

Similarity

N/A

ID: 251111

N-benzyl-3-(hydrazinecarbonyl)-4-hydroxybenzene-1-sulfonamide

$$$$ Data

M. F.

C14H15N3O4S

Suppliers	Catalog Number
Enamine	EN300-17435

Database	Data ID
PubChem	2461729

M. W.

321.3516

CAS

Similarity

N/A

ID: 251112

2λ⁴,1,3-benzoselenadiazole

$$$$ Data

M. F.

C6H4N2Se

Suppliers	Catalog Number
Enamine	EN300-17451

Database	Data ID
PubChem	67503

M. W.

183.06936

CAS

Similarity

N/A

ID: 251113

5-(2-bromophenyl)-5-methylimidazolidine-2,4-dione

$$$$ Data

M. F.

C10H9BrN2O2

Suppliers	Catalog Number
Enamine	EN300-17456

Database	Data ID
PubChem	4010848

M. W.

269.09466

CAS

Similarity

N/A

ID: 251114

5-(4-chlorophenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C12H7ClN2OS

Suppliers	Catalog Number
Enamine	EN300-17460

Database	Data ID
PubChem	731456

M. W.

262.71478

CAS

Similarity

N/A

ID: 251115

(2E)-N-(3,4-dichlorophenyl)-2-(N-hydroxyimino)acetamide

$$$$ Data

M. F.

C8H6Cl2N2O2

Suppliers	Catalog Number
Enamine	EN300-17461

Database	Data ID
PubChem	6898830

M. W.

233.05144

CAS

6662-53-9

Similarity

N/A

ID: 251116

13-(3,4-dichlorophenyl)-11-methyl-1,8-diazatricyclo[7.4.0.0²,⁷

$$$$ Data

M. F.

C19H11Cl2N3

Suppliers	Catalog Number
Enamine	EN300-17465

Database	Data ID
PubChem	3270709

M. W.

352.21674

CAS

Similarity

N/A

ID: 251117

13-(3,5-dimethoxyphenyl)-11-methyl-1,8-diazatricyclo[7.4.0.0²,^7<...

$$$$ Data

M. F.

C21H17N3O2

Suppliers	Catalog Number
Enamine	EN300-17471

Database	Data ID
PubChem	3271609

M. W.

343.37858

CAS

Similarity

N/A

ID: 251118

13-(3,5-dimethylphenyl)-11-methyl-1,8-diazatricyclo[7.4.0.0²,⁷

$$$$ Data

M. F.

C21H17N3

Suppliers	Catalog Number
Enamine	EN300-17472

Database	Data ID
PubChem	3271806

M. W.

311.37978

CAS

Similarity

N/A

ID: 251119

13-(4-chlorophenyl)-11-methyl-1,8-diazatricyclo[7.4.0.0²,⁷...

$$$$ Data

M. F.

C19H12ClN3

Suppliers	Catalog Number
Enamine	EN300-17474

Database	Data ID
PubChem	3271807

M. W.

317.77168

CAS

Similarity

N/A

ID: 251120

N-(3-chloro-2-methylphenyl)-3-oxobutanamide

$$$$ Data

M. F.

C11H12ClNO2

Suppliers	Catalog Number
Enamine	EN300-17477

Database	Data ID
PubChem	296085

M. W.

225.67148

CAS

20139-54-2

Similarity

N/A

ID: 251121

methyl 2-[(2E)-2-(N-hydroxyimino)acetamido]benzoate

$$$$ Data

M. F.

C10H10N2O4

Suppliers	Catalog Number
Enamine	EN300-17479

Database	Data ID
PubChem	6904179

M. W.

222.1974

CAS

63016-87-5

Similarity

N/A

ID: 251122

N-(2-fluorophenyl)-3-oxobutanamide

$$$$ Data

M. F.

C10H10FNO2

Suppliers	Catalog Number
ChemBridge	5260326
Enamine	EN300-17489

Database	Data ID
PubChem	763281

M. W.

195.1903032

CAS

5279-85-6

Similarity

N/A

ID: 251123

(2E)-2-(N-hydroxyimino)-N-(2-methoxy-4-nitrophenyl)acetamide

$$$$ Data

M. F.

C9H9N3O5

Suppliers	Catalog Number
Enamine	EN300-17490

Database	Data ID
PubChem	9614375

M. W.

239.18486

CAS

67303-27-9

Similarity

N/A

ID: 251124

11-methyl-13-(3-methylphenyl)-1,8-diazatricyclo[7.4.0.0²,⁷...

$$$$ Data

M. F.

C20H15N3

Suppliers	Catalog Number
Enamine	EN300-17505

Database	Data ID
PubChem	3884448

M. W.

297.3532

CAS

Similarity

N/A

ID: 251125

1-(2-methylpropyl)imidazolidine-2,4,5-trione

$$$$ Data

M. F.

C7H10N2O3

Suppliers	Catalog Number
Enamine	EN300-17513

Database	Data ID
PubChem	2398144

M. W.

170.1659

CAS

Similarity

N/A

ID: 251126

13-(3-fluorophenyl)-11-methyl-1,8-diazatricyclo[7.4.0.0²,⁷...

$$$$ Data

M. F.

C19H12FN3

Suppliers	Catalog Number
Enamine	EN300-17515

Database	Data ID
PubChem	3580887

M. W.

301.3170832

CAS

Similarity

N/A

ID: 251127

13-(3,4-dimethylphenyl)-11-methyl-1,8-diazatricyclo[7.4.0.0²,⁷

$$$$ Data

M. F.

C21H17N3

Suppliers	Catalog Number
Enamine	EN300-17519

Database	Data ID
PubChem	3882931

M. W.

311.37978

CAS

Similarity

N/A

ID: 251128

5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione

$$$$ Data

M. F.

C11H12N2O3

Suppliers	Catalog Number
Enamine	EN300-17525

Database	Data ID
PubChem	3939497

M. W.

220.22458

CAS

Similarity

N/A

ID: 251129

2-chloro-1-[4-(2,4-dimethylbenzenesulfonyl)piperazin-1-yl]ethan-1-one

$$$$ Data

M. F.

C14H19ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-17538

Database	Data ID
PubChem	4299411

M. W.

330.83026

CAS

Similarity

N/A

ID: 251130

N,N-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

$$$$ Data

M. F.

C9H10N2O4S

Suppliers	Catalog Number
Enamine	EN300-17550

Database	Data ID
PubChem	2412320

M. W.

242.2517

CAS

Similarity

N/A

ID: 251131

8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione

$$$$ Data

M. F.

C13H22N2O2

Suppliers	Catalog Number
Enamine	EN300-17557

Database	Data ID
PubChem	3290351

M. W.

238.32598

CAS

Similarity

N/A

ID: 251132

3,4-dihydro-2H-1,5-benzodioxepine

$$$$ Data

M. F.

C9H10O2

Suppliers	Catalog Number
Alfa Aesar	H27374
Enamine	EN300-17581

Database	Data ID
PubChem	81635

M. W.

150.1745

CAS

7216-18-4

Similarity

N/A

ID: 251133

ethyl 4-(4-chlorophenyl)-2-[(3-chloroquinoxalin-2-yl)amino]thiophene-3-carboxyla...

$$$$ Data

M. F.

C21H15Cl2N3O2S

Suppliers	Catalog Number
Enamine	EN300-17653

Database	Data ID
PubChem	2096980

M. W.

444.3337

CAS

Similarity

N/A

ID: 251134

1-(2-methyl-5-nitrobenzenesulfonyl)piperazine

$$$$ Data

M. F.

C11H15N3O4S

Suppliers	Catalog Number
Enamine	EN300-17657

Database	Data ID
PubChem	3382947

M. W.

285.3195

CAS

Similarity

N/A

ID: 251135

4-(diethylsulfamoyl)benzene-1-sulfonyl chloride

$$$$ Data

M. F.

C10H14ClNO4S2

Suppliers	Catalog Number
Enamine	EN300-17662

Database	Data ID
PubChem	4211313

M. W.

311.80546

CAS

Similarity

N/A

ID: 251136

(3-ethoxypropyl)urea

$$$$ Data

M. F.

C6H14N2O2

Suppliers	Catalog Number
Enamine	EN300-17685

Database	Data ID
PubChem	2115229

M. W.

146.18756

CAS

Similarity

N/A

ID: 251137

2-[(5-nitrofuran-2-yl)formamido]propanoic acid

$$$$ Data

M. F.

C8H8N2O6

Suppliers	Catalog Number
Enamine	EN300-17704

Database	Data ID
PubChem	4031331

M. W.

228.15892

CAS

Similarity

N/A

ID: 251138

2-(thiophen-2-yl)-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C12H8N2OS

Suppliers	Catalog Number
Enamine	EN300-17716

Database	Data ID
PubChem	702228

M. W.

228.26972

CAS

Similarity

N/A

ID: 251139

6-(4-chlorophenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one

$$$$ Data

M. F.

C12H7ClN2OS

Suppliers	Catalog Number
Enamine	EN300-17743

Database	Data ID
PubChem	1239631

M. W.

262.71478

CAS

Similarity

N/A

ID: 251140

5-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole

$$$$ Data

M. F.

C10H12N4

Suppliers	Catalog Number
Enamine	EN300-17748

Database	Data ID
PubChem	858905

M. W.

188.22908

CAS

Similarity

N/A

ID: 251141

4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile

$$$$ Data

M. F.

C11H9N3O2

Suppliers	Catalog Number
Enamine	EN300-17751

Database	Data ID
PubChem	3074981

M. W.

215.20806

CAS

Similarity

N/A

ID: 251142

2-(thiophen-2-yl)quinazoline-4-thiol

$$$$ Data

M. F.

C12H8N2S2

Suppliers	Catalog Number
Enamine	EN300-17764

Database	Data ID
PubChem	2474240

M. W.

244.33532

CAS

Similarity

N/A

ID: 251143

2-chloro-N-(2-methyl-6-nitrophenyl)acetamide

$$$$ Data

M. F.

C9H9ClN2O3

Suppliers	Catalog Number
Enamine	EN300-17766

Database	Data ID
PubChem	4830921

M. W.

228.63236

CAS

78180-08-2

Similarity

N/A

ID: 251144

2-[(2E)-3-(4-methoxyphenyl)prop-2-enamido]-3-methylbutanoic acid

$$$$ Data

M. F.

C15H19NO4

Suppliers	Catalog Number
Enamine	EN300-17772

Database	Data ID
PubChem	6223664

M. W.

277.31566

CAS

Similarity

N/A

ID: 251145

2-(chloromethyl)-1-methoxy-4-nitrobenzene

$$$$ Data

M. F.

C8H8ClNO3

Suppliers	Catalog Number
Enamine	EN300-17781

Database	Data ID
PubChem	2529377

M. W.

201.60702

CAS

93-06-1

Similarity

N/A

ID: 251146

2-chloro-N-ethyl-N-(naphthalen-1-yl)propanamide

$$$$ Data

M. F.

C15H16ClNO

Suppliers	Catalog Number
Enamine	EN300-17787

Database	Data ID
PubChem	4831809

M. W.

261.74664

CAS

101111-62-0

Similarity

N/A

ID: 251147

4-methyl-5-[2-(4-methylphenyl)quinolin-4-yl]-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C19H16N4S

Suppliers	Catalog Number
Enamine	EN300-17807

Database	Data ID
PubChem	2554483

M. W.

332.42214

CAS

Similarity

N/A

ID: 251148

(2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid

$$$$ Data

M. F.

C17H14N2O2S

Suppliers	Catalog Number
Enamine	EN300-17812

Database	Data ID
PubChem	2554530

M. W.

310.37026

CAS

Similarity

N/A

ID: 251149

2-cyano-2-cyclohexylideneethanethioamide

$$$$ Data

M. F.

C9H12N2S

Suppliers	Catalog Number
Enamine	EN300-17820

Database	Data ID
PubChem	766385

M. W.

180.26998

CAS

Similarity

N/A

ID: 251150

2-{[(dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzoic acid

$$$$ Data

M. F.

C13H13NO3S

Suppliers	Catalog Number
Enamine	EN300-17824

Database	Data ID
PubChem	2561712

M. W.

263.31222

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