Chembase list of 866358 unique molecular structures

1,2,3,4-tetrahydroacridine-9-carboxamide

$$$$ Data

M. F.

C14H14N2O

Suppliers	Catalog Number
Enamine	EN300-03860

Database	Data ID
PubChem	2063411

M. W.

226.27376

CAS

42878-53-5

Similarity

N/A

ID: 230602

9-chloro-2-azatricyclo[6.3.1.0⁴,¹²]dodeca-1(12)...

$$$$ Data

M. F.

C11H6ClNO

Suppliers	Catalog Number
Enamine	EN300-03861

Database	Data ID
PubChem	854231

M. W.

203.62444

CAS

24950-30-9

Similarity

N/A

ID: 230603

(propan-2-yl)urea

$$$$ Data

M. F.

C4H10N2O

Suppliers	Catalog Number
Enamine	EN300-03863

Database	Data ID
PubChem	12725

M. W.

102.135

CAS

691-60-1

Similarity

N/A

ID: 230604

ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

$$$$ Data

M. F.

C12H16N2O2S2

Suppliers	Catalog Number
Enamine	EN300-03864

Database	Data ID
PubChem	748421

M. W.

284.39764

CAS

105544-62-5

Similarity

N/A

ID: 230605

3,7-dibenzyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

$$$$ Data

M. F.

C19H16N4O2

Suppliers	Catalog Number
Enamine	EN300-03867

Database	Data ID
PubChem	350726

M. W.

332.35594

CAS

139927-86-9

Similarity

N/A

ID: 230606

1,3-bis(2-chlorophenyl)thiourea

$$$$ Data

M. F.

C13H10Cl2N2S

Suppliers	Catalog Number
Enamine	EN300-03868

Database	Data ID
PubChem	718337

M. W.

297.2029

CAS

1219-68-7

Similarity

N/A

ID: 230607

1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C14H15NO4

Suppliers	Catalog Number
Enamine	EN300-03869

Database	Data ID
PubChem	282938

M. W.

261.2732

CAS

37597-19-6

Similarity

N/A

ID: 230608

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

$$$$ Data

M. F.

C9H11NO3

Suppliers	Catalog Number
Enamine	EN300-03870

Database	Data ID
PubChem	3735046

M. W.

181.18854

CAS

Similarity

N/A

ID: 230609

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

$$$$ Data

M. F.

C9H13NO2

Suppliers	Catalog Number
Enamine	EN300-03871

Database	Data ID
PubChem	2389943

M. W.

167.20502

CAS

Similarity

N/A

ID: 230610

1-[2-(4-methoxyphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C13H13NO3

Suppliers	Catalog Number
Enamine	EN300-03872

Database	Data ID
PubChem	2392392

M. W.

231.24722

CAS

Similarity

N/A

ID: 230611

1-(3-chloro-4-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C11H8ClNO3

Suppliers	Catalog Number
Enamine	EN300-03873

Database	Data ID
PubChem	866463

M. W.

237.63912

CAS

Similarity

N/A

ID: 230612

1-(2-methoxy-4-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C11H8N2O5

Suppliers	Catalog Number
Enamine	EN300-03875

Database	Data ID
PubChem	3310246

M. W.

248.19162

CAS

184171-53-7

Similarity

N/A

ID: 230613

1-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C12H10ClNO3

Suppliers	Catalog Number
Enamine	EN300-03880

Database	Data ID
PubChem	2392335

M. W.

251.6657

CAS

Similarity

N/A

ID: 230614

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

$$$$ Data

M. F.

C12H9NO3

Suppliers	Catalog Number
Enamine	EN300-03885

Database	Data ID
PubChem	846249

M. W.

215.20476

CAS

Similarity

N/A

ID: 230615

1-(4-butylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C14H15NO2

Suppliers	Catalog Number
Enamine	EN300-03888

Database	Data ID
PubChem	604282

M. W.

229.2744

CAS

Similarity

N/A

ID: 230616

1-[2-(phenylsulfanyl)phenyl]-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C16H11NO2S

Suppliers	Catalog Number
Enamine	EN300-03889

Database	Data ID
PubChem	2392352

M. W.

281.32904

CAS

Similarity

N/A

ID: 230617

1-(3,4-dimethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C12H11NO4

Suppliers	Catalog Number
Enamine	EN300-03890

Database	Data ID
PubChem	708844

M. W.

233.22004

CAS

Similarity

N/A

ID: 230618

1-[(4-chlorophenyl)methyl]-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C11H8ClNO2

Suppliers	Catalog Number
Enamine	EN300-03893

Database	Data ID
PubChem	2392334

M. W.

221.63972

CAS

34569-29-4

Similarity

N/A

ID: 230619

1-(2-methoxyethyl)-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C7H9NO3

Suppliers	Catalog Number
Enamine	EN300-03896

Database	Data ID
PubChem	2759573

M. W.

155.15126

CAS

Similarity

N/A

ID: 230620

1-(2-chloro-5-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C10H5ClN2O4

Suppliers	Catalog Number
Enamine	EN300-03898

Database	Data ID
PubChem	2392373

M. W.

252.6107

CAS

Similarity

N/A

ID: 230621

1-{2-[(4-chlorophenyl)sulfanyl]phenyl}-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C16H10ClNO2S

Suppliers	Catalog Number
Enamine	EN300-03899

Database	Data ID
PubChem	2389940

M. W.

315.7741

CAS

Similarity

N/A

ID: 230622

1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C11H5ClF3NO2

Suppliers	Catalog Number
Enamine	EN300-03901

Database	Data ID
PubChem	3729076

M. W.

275.6111096

CAS

54647-10-8

Similarity

N/A

ID: 230623

N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]benzamide

$$$$ Data

M. F.

C16H15N3O

Suppliers	Catalog Number
Enamine	EN300-03903

Database	Data ID
PubChem	675103

M. W.

265.3098

CAS

107313-47-3

Similarity

N/A

ID: 230624

(3Z)-1,1,1-trifluoro-4-methoxypent-3-en-2-one

$$$$ Data

M. F.

C6H7F3O2

Suppliers	Catalog Number
Enamine	EN300-03909

Database	Data ID
PubChem	5462729

M. W.

168.1137896

CAS

102145-82-4

Similarity

N/A

ID: 230625

(1E)-1-ethoxy-4,4,5,5,5-pentafluoropent-1-en-3-one

$$$$ Data

M. F.

C7H7F5O2

Suppliers	Catalog Number
Enamine	EN300-03910

Database	Data ID
PubChem	5906496

M. W.

218.121296

CAS

Similarity

N/A

ID: 230626

1-methylpyridin-1-ium-2-sulfonate

$$$$ Data

M. F.

C6H7NO3S

Suppliers	Catalog Number
Enamine	EN300-03923

Database	Data ID
PubChem	3109004

M. W.

173.18968

CAS

4329-93-5

Similarity

N/A

ID: 230627

methyl 4-(dibromomethyl)benzoate

$$$$ Data

M. F.

C9H8Br2O2

Suppliers	Catalog Number
Enamine	EN300-03927

Database	Data ID
PubChem	3729087

M. W.

307.96662

CAS

131852-50-1

Similarity

N/A

ID: 230628

3-(1H-indol-3-yl)-2-(thiophen-2-ylformamido)propanoic acid

$$$$ Data

M. F.

C16H14N2O3S

Suppliers	Catalog Number
Enamine	EN300-03929

Database	Data ID
PubChem	3729143

M. W.

314.35896

CAS

Similarity

N/A

ID: 230629

sodium 2-[(4-fluorophenyl)formamido]-3-(1H-indol-3-yl)propanoate

$$$$ Data

M. F.

C18H14FN2NaO3

Suppliers	Catalog Number
Enamine	EN300-03930

Database	Data ID
PubChem	23700022

M. W.

348.3035332

CAS

Similarity

N/A

ID: 230630

3-[(2-methoxyphenyl)amino]propanoic acid

$$$$ Data

M. F.

C10H13NO3

Suppliers	Catalog Number
Enamine	EN300-03931

Database	Data ID
PubChem	2380514

M. W.

195.21512

CAS

3334-66-5

Similarity

N/A

ID: 230631

2-amino-1-(4-nitrophenyl)ethan-1-ol hydrochloride

$$$$ Data

M. F.

C8H11ClN2O3

Suppliers	Catalog Number
Enamine	EN300-03932

Database	Data ID
PubChem	12433516

M. W.

218.63754

CAS

68215-44-1

Similarity

N/A

ID: 230632

1-(4-chlorophenyl)-5-methoxy-3-methyl-1H-pyrazole

$$$$ Data

M. F.

C11H11ClN2O

Suppliers	Catalog Number
Enamine	EN300-03933

Database	Data ID
PubChem	2318102

M. W.

222.67084

CAS

Similarity

N/A

ID: 230633

ethyl 2-oxo-3-(quinolin-2-yl)propanoate

$$$$ Data

M. F.

C14H13NO3

Suppliers	Catalog Number
Enamine	EN300-03938

Database	Data ID
PubChem	2063663

M. W.

243.25792

CAS

13119-76-1

Similarity

N/A

ID: 230634

2-[(2-chlorophenyl)formamido]-3-methylbutanoic acid

$$$$ Data

M. F.

C12H14ClNO3

Suppliers	Catalog Number
Enamine	EN300-03940

Database	Data ID
PubChem	3143070

M. W.

255.69746

CAS

Similarity

N/A

ID: 230635

2-[(4-chlorophenyl)formamido]-3-(1H-indol-3-yl)propanoic acid

$$$$ Data

M. F.

C18H15ClN2O3

Suppliers	Catalog Number
Enamine	EN300-03941

Database	Data ID
PubChem	2787526

M. W.

342.7763

CAS

39544-74-6

Similarity

N/A

ID: 230636

2-[(2-chlorophenyl)formamido]-3-(1H-indol-3-yl)propanoic acid

$$$$ Data

M. F.

C18H15ClN2O3

Suppliers	Catalog Number
Enamine	EN300-03942

Database	Data ID
PubChem	3732575

M. W.

342.7763

CAS

Similarity

N/A

ID: 230637

methyl 3,5-bis(4-fluorobenzenesulfonamido)benzoate

$$$$ Data

M. F.

C20H16F2N2O6S2

Suppliers	Catalog Number
Enamine	EN300-03943

Database	Data ID
PubChem	2369010

M. W.

482.4776464

CAS

Similarity

N/A

ID: 230638

2-[(4-fluorophenyl)formamido]-3-methylbutanoic acid

$$$$ Data

M. F.

C12H14FNO3

Suppliers	Catalog Number
Enamine	EN300-03944

Database	Data ID
PubChem	2771099

M. W.

239.2428632

CAS

Similarity

N/A

ID: 230639

4-carbamoyl-2-[(4-fluorophenyl)formamido]butanoic acid

$$$$ Data

M. F.

C12H13FN2O4

Suppliers	Catalog Number
Enamine	EN300-03945

Database	Data ID
PubChem	3732576

M. W.

268.2410232

CAS

Similarity

N/A

ID: 230640

2-[(4-tert-butylphenyl)formamido]acetic acid

$$$$ Data

M. F.

C13H17NO3

Suppliers	Catalog Number
Enamine	EN300-03947

Database	Data ID
PubChem	703947

M. W.

235.27898

CAS

87015-91-6

Similarity

N/A

ID: 230641

2-[(4-phenylphenyl)formamido]acetic acid

$$$$ Data

M. F.

C15H13NO3

Suppliers	Catalog Number
Enamine	EN300-03948

Database	Data ID
PubChem	262943

M. W.

255.26862

CAS

75446-59-2

Similarity

N/A

ID: 230642

methyl 3,5-bis(thiophene-2-sulfonamido)benzoate

$$$$ Data

M. F.

C16H14N2O6S4

Suppliers	Catalog Number
Enamine	EN300-03949

Database	Data ID
PubChem	2369016

M. W.

458.55216

CAS

Similarity

N/A

ID: 230643

2-(furan-2-amido)benzoic acid

$$$$ Data

M. F.

C12H9NO4

Suppliers	Catalog Number
Enamine	EN300-03951

Database	Data ID
PubChem	722854

M. W.

231.20416

CAS

Similarity

N/A

ID: 230644

3-phenyl-2-(thiophen-2-ylformamido)propanoic acid

$$$$ Data

M. F.

C14H13NO3S

Suppliers	Catalog Number
Enamine	EN300-03952

Database	Data ID
PubChem	3732659

M. W.

275.32292

CAS

Similarity

N/A

ID: 230645

3-chloro-1λ⁶,2-benzothiazole-1,1-dione

$$$$ Data

M. F.

C7H4ClNO2S

Suppliers	Catalog Number
ChemBridge	4043073
Enamine	EN300-03953

Database	Data ID
PubChem	64783

M. W.

201.63016

CAS

567-19-1

Similarity

N/A

ID: 230646

methyl 3-[(4-methoxyphenyl)(prop-2-en-1-yl)sulfamoyl]benzoate

$$$$ Data

M. F.

C18H19NO5S

Suppliers	Catalog Number
Enamine	EN300-03958

Database	Data ID
PubChem	2380148

M. W.

361.41216

CAS

Similarity

N/A

ID: 230647

3-methyl-4-nitro-1-(4-nitrophenyl)-1H-pyrazol-5-ol

$$$$ Data

M. F.

C10H8N4O5

Suppliers	Catalog Number
Enamine	EN300-03959

Database	Data ID
PubChem	113406

M. W.

264.19432

CAS

132-42-3

Similarity

N/A

ID: 230648

methyl 4-chloro-3-[(4-methoxyphenyl)(prop-2-en-1-yl)sulfamoyl]benzoate

$$$$ Data

M. F.

C18H18ClNO5S

Suppliers	Catalog Number
Enamine	EN300-03960

Database	Data ID
PubChem	2345110

M. W.

395.85722

CAS

Similarity

N/A

ID: 230649

methyl 4-chloro-3-[(2-methoxyphenyl)(prop-2-en-1-yl)sulfamoyl]benzoate

$$$$ Data

M. F.

C18H18ClNO5S

Suppliers	Catalog Number
Enamine	EN300-03961

Database	Data ID
PubChem	2345111

M. W.

395.85722

CAS

Similarity

N/A

ID: 230650

2-(4-tert-butyl-2,6-dimethylphenyl)acetonitrile

$$$$ Data

M. F.

C14H19N

Suppliers	Catalog Number
Enamine	EN300-03962

Database	Data ID
PubChem	1547137

M. W.

201.30736

CAS

84803-57-6

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