Chembase list of 866358 unique molecular structures

3-methyl-5-(piperazine-1-sulfonyl)thiophene-2,4-dicarboxylic acid hydrochloride

$$$$ Data

M. F.

C11H15ClN2O6S2

Suppliers	Catalog Number
Enamine	EN300-10457

Database	Data ID
PubChem	16246405

M. W.

370.8296

CAS

Similarity

N/A

ID: 236802

5,6-difluoro-1H-1,3-benzodiazol-2-amine

$$$$ Data

M. F.

C7H5F2N3

Suppliers	Catalog Number
Enamine	EN300-104574

Database	Data ID
PubChem	10678708

M. W.

169.1315064

CAS

Similarity

N/A

ID: 236803

3-chloro-4-(4-chlorophenoxy)benzoic acid

$$$$ Data

M. F.

C13H8Cl2O3

Suppliers	Catalog Number
Enamine	EN300-104575

Database	Data ID
PubChem	63513659

M. W.

283.10682

CAS

Similarity

N/A

ID: 236804

4-chloro-1H-1,3-benzodiazol-2-amine

$$$$ Data

M. F.

C7H6ClN3

Suppliers	Catalog Number
Enamine	EN300-104576
Bide Pharmatech	BD241644

Database	Data ID
PubChem	19017767

M. W.

167.59564

CAS

701-14-4

Similarity

N/A

ID: 236805

7-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazine

$$$$ Data

M. F.

C8H11N3

Suppliers	Catalog Number
Enamine	EN300-104577

Database	Data ID
PubChem	71755787

M. W.

149.19304

CAS

Similarity

N/A

ID: 236806

2-chloro-N-(4-chloro-1,1-dioxo-1λ⁶-thiolan-3-yl)acetamide

$$$$ Data

M. F.

C6H9Cl2NO3S

Suppliers	Catalog Number
Enamine	EN300-10458

Database	Data ID
PubChem	3794742

M. W.

246.11156

CAS

Similarity

N/A

ID: 236807

2-(1H-1,2,3,4-tetrazol-5-ylmethyl)pyridine dihydrochloride

$$$$ Data

M. F.

C7H9Cl2N5

Suppliers	Catalog Number
Enamine	EN300-104580

Database	Data ID
PubChem	71755788

M. W.

234.08586

CAS

Similarity

N/A

ID: 236808

cyclopropane-1,2-diamine dihydrochloride

$$$$ Data

M. F.

C3H10Cl2N2

Suppliers	Catalog Number
Enamine	EN300-104587

Database	Data ID
PubChem	23143686

M. W.

145.0309

CAS

Similarity

N/A

ID: 236809

2-bromo-5-methoxybenzene-1-sulfonamide

$$$$ Data

M. F.

C7H8BrNO3S

Suppliers	Catalog Number
Enamine	EN300-104589

Database	Data ID
PubChem	51000083

M. W.

266.11232

CAS

Similarity

N/A

ID: 236810

4-(3-aminopropyl)-4-azatricyclo[5.2.1.0²,⁶]dec-8-ene-3,5-d...

$$$$ Data

M. F.

C12H16N2O2

Suppliers	Catalog Number
Enamine	EN300-104590

Database	Data ID
PubChem	62267747

M. W.

220.26764

CAS

Similarity

N/A

ID: 236811

2-amino-2-(4-bromophenyl)ethan-1-ol

$$$$ Data

M. F.

C8H10BrNO

Suppliers	Catalog Number
Enamine	EN300-104593

Database	Data ID
PubChem	14853193

M. W.

216.0751

CAS

Similarity

N/A

ID: 236812

2-(methoxymethyl)-4-nitroaniline

$$$$ Data

M. F.

C8H10N2O3

Suppliers	Catalog Number
Enamine	EN300-104595

Database	Data ID
PubChem	11401143

M. W.

182.1766

CAS

Similarity

N/A

ID: 236813

(2Z)-2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyra...

$$$$ Data

M. F.

C18H14F2N4O4

Suppliers	Catalog Number
Enamine	EN300-10460

Database	Data ID
PubChem	2513303

M. W.

388.3249664

CAS

Similarity

N/A

ID: 236814

3-(6-aminopyridin-3-yl)propanoic acid

$$$$ Data

M. F.

C8H10N2O2

Suppliers	Catalog Number
Enamine	EN300-104600
Bide Pharmatech	BD226171

Database	Data ID
PubChem	18404603

M. W.

166.1772

CAS

446263-96-3

Similarity

N/A

ID: 236815

3-methyl-4-(pyrrolidin-1-yl)benzonitrile

$$$$ Data

M. F.

C12H14N2

Suppliers	Catalog Number
Enamine	EN300-104602

Database	Data ID
PubChem	60928805

M. W.

186.25296

CAS

Similarity

N/A

ID: 236816

2-(3-chloro-4-fluorobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid

$$$$ Data

M. F.

C11H13ClFNO4S2

Suppliers	Catalog Number
Enamine	EN300-10461

Database	Data ID
PubChem	3865481

M. W.

341.8066232

CAS

Similarity

N/A

ID: 236817

methyl 2-amino-5-fluoro-3-methylbenzoate

$$$$ Data

M. F.

C9H10FNO2

Suppliers	Catalog Number
Enamine	EN300-104614

Database	Data ID
PubChem	53415135

M. W.

183.1796032

CAS

Similarity

N/A

ID: 236818

5-fluoro-7-methyl-2,3-dihydro-1λ⁶,2-benzothiazole-1,1,3-trione

$$$$ Data

M. F.

C8H6FNO3S

Suppliers	Catalog Number
Enamine	EN300-104615

Database	Data ID
PubChem	71755789

M. W.

215.2015432

CAS

Similarity

N/A

ID: 236819

2-cyano-4-fluoro-6-methylbenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C8H5ClFNO2S

Suppliers	Catalog Number
Enamine	EN300-104616

Database	Data ID
PubChem	71755790

M. W.

233.6472032

CAS

Similarity

N/A

ID: 236820

4-[4-(1-hydroxyethyl)benzenesulfonamido]benzoic acid

$$$$ Data

M. F.

C15H15NO5S

Suppliers	Catalog Number
Enamine	EN300-10462

Database	Data ID
PubChem	3308927

M. W.

321.3483

CAS

Similarity

N/A

ID: 236821

4-chloro-2-(4-methylbenzenesulfonamido)benzoic acid

$$$$ Data

M. F.

C14H12ClNO4S

Suppliers	Catalog Number
Enamine	EN300-10463

Database	Data ID
PubChem	2125537

M. W.

325.76738

CAS

31100-24-0

Similarity

N/A

ID: 236822

1-{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-1H-imidazole

$$$$ Data

M. F.

C16H21BN2O2

Suppliers	Catalog Number
Enamine	EN300-104633

Database	Data ID
PubChem	71755791

M. W.

284.16114

CAS

Similarity

N/A

ID: 236823

1-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl)piperazine

$$$$ Data

M. F.

C13H18N2O4S

Suppliers	Catalog Number
Enamine	EN300-10464

Database	Data ID
PubChem	2090956

M. W.

298.35802

CAS

Similarity

N/A

ID: 236824

2-(5-tert-butyl-2-methylbenzenesulfonamido)-4-carbamoylbutanoic acid

$$$$ Data

M. F.

C16H24N2O5S

Suppliers	Catalog Number
Enamine	EN300-10465

Database	Data ID
PubChem	3865081

M. W.

356.43716

CAS

Similarity

N/A

ID: 236825

4-(chloromethyl)-3-(4-chlorophenyl)-1-phenyl-1H-pyrazole

$$$$ Data

M. F.

C16H12Cl2N2

Suppliers	Catalog Number
Enamine	EN300-10466

Database	Data ID
PubChem	2333890

M. W.

303.18588

CAS

Similarity

N/A

ID: 236826

4-(chloromethyl)-3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazole

$$$$ Data

M. F.

C18H17ClN2

Suppliers	Catalog Number
Enamine	EN300-10467

Database	Data ID
PubChem	2121586

M. W.

296.79398

CAS

Similarity

N/A

ID: 236827

4-(chloromethyl)-1,3-diphenyl-1H-pyrazole

$$$$ Data

M. F.

C16H13ClN2

Suppliers	Catalog Number
Enamine	EN300-10468

Database	Data ID
PubChem	2333908

M. W.

268.74082

CAS

Similarity

N/A

ID: 236828

3-(prop-2-yn-1-ylsulfanyl)benzoic acid

$$$$ Data

M. F.

C10H8O2S

Suppliers	Catalog Number
Enamine	EN300-104682

Database	Data ID
PubChem	64172315

M. W.

192.23432

CAS

Similarity

N/A

ID: 236829

3-bromo-1-(2,6-difluorophenyl)pyrrolidin-2-one

$$$$ Data

M. F.

C10H8BrF2NO

Suppliers	Catalog Number
Enamine	EN300-104683

Database	Data ID
PubChem	63788401

M. W.

276.0774264

CAS

Similarity

N/A

ID: 236830

2-chloro-N-[1-(naphthalen-2-yl)ethyl]acetamide

$$$$ Data

M. F.

C14H14ClNO

Suppliers	Catalog Number
Enamine	EN300-10469

Database	Data ID
PubChem	3679669

M. W.

247.72006

CAS

Similarity

N/A

ID: 236831

5-(benzenesulfonyl)thiophene-2-carboxylic acid

$$$$ Data

M. F.

C11H8O4S2

Suppliers	Catalog Number
Enamine	EN300-104693

Database	Data ID
PubChem	220257

M. W.

268.30882

CAS

Similarity

N/A

ID: 236832

methyl 3-amino-5-methanesulfonylbenzoate

$$$$ Data

M. F.

C9H11NO4S

Suppliers	Catalog Number
Enamine	EN300-104694

Database	Data ID
PubChem	18945412

M. W.

229.25294

CAS

Similarity

N/A

ID: 236833

(4-methyl-2-phenoxyphenyl)methanamine

$$$$ Data

M. F.

C14H15NO

Suppliers	Catalog Number
Enamine	EN300-104695

Database	Data ID
PubChem	62306947

M. W.

213.275

CAS

Similarity

N/A

ID: 236834

4-methyl-1-(propan-2-yl)pyrrolidin-3-one

$$$$ Data

M. F.

C8H15NO

Suppliers	Catalog Number
Enamine	EN300-104696

Database	Data ID
PubChem	68224907

M. W.

141.2108

CAS

Similarity

N/A

ID: 236835

[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methanamine

$$$$ Data

M. F.

C13H19NO2

Suppliers	Catalog Number
Enamine	EN300-104697

Database	Data ID
PubChem	62306598

M. W.

221.29546

CAS

Similarity

N/A

ID: 236836

1-cyclopropyl-4-methylpyrrolidin-3-one

$$$$ Data

M. F.

C8H13NO

Suppliers	Catalog Number
Enamine	EN300-104698

Database	Data ID
PubChem	71755792

M. W.

139.19492

CAS

Similarity

N/A

ID: 236837

[2-(hexyloxy)-4-methylphenyl]methanamine

$$$$ Data

M. F.

C14H23NO

Suppliers	Catalog Number
Enamine	EN300-104699

Database	Data ID
PubChem	62307475

M. W.

221.33852

CAS

Similarity

N/A

ID: 236838

2-chloro-N-[1-(2-methylphenyl)ethyl]acetamide

$$$$ Data

M. F.

C11H14ClNO

Suppliers	Catalog Number
Enamine	EN300-10470

Database	Data ID
PubChem	5220496

M. W.

211.68796

CAS

Similarity

N/A

ID: 236839

2,2-difluorocyclohexan-1-amine hydrochloride

$$$$ Data

M. F.

C6H12ClF2N

Suppliers	Catalog Number
Enamine	EN300-104701

Database	Data ID
PubChem	66791418

M. W.

171.6159864

CAS

Similarity

N/A

ID: 236840

2-chloro-N-{1-[4-(propan-2-yl)phenyl]ethyl}acetamide

$$$$ Data

M. F.

C13H18ClNO

Suppliers	Catalog Number
Enamine	EN300-10471

Database	Data ID
PubChem	4983231

M. W.

239.74112

CAS

Similarity

N/A

ID: 236841

3-amino-1-(2,6-difluorophenyl)pyrrolidin-2-one

$$$$ Data

M. F.

C10H10F2N2O

Suppliers	Catalog Number
Enamine	EN300-104710

Database	Data ID
PubChem	61552016

M. W.

212.1960064

CAS

Similarity

N/A

ID: 236842

4-chloro-3-cyclopropyl-1H-pyrazole-5-carboxylic acid

$$$$ Data

M. F.

C7H7ClN2O2

Suppliers	Catalog Number
Enamine	EN300-104711

Database	Data ID
PubChem	57475881

M. W.

186.59568

CAS

Similarity

N/A

ID: 236843

1-benzyl-5-methylpyrrolidin-2-one

$$$$ Data

M. F.

C12H15NO

Suppliers	Catalog Number
Enamine	EN300-104713

Database	Data ID
PubChem	11830201

M. W.

189.2536

CAS

Similarity

N/A

ID: 236844

2-{[(tert-butoxy)carbonyl]amino}-2-phenylacetic acid

$$$$ Data

M. F.

C13H17NO4

Suppliers	Catalog Number
Enamine	EN300-104717

Database	Data ID
PubChem	571805

M. W.

251.27838

CAS

Similarity

N/A

ID: 236845

N-[1-(2-bromophenyl)ethyl]-2-chloroacetamide

$$$$ Data

M. F.

C10H11BrClNO

Suppliers	Catalog Number
Enamine	EN300-10472

Database	Data ID
PubChem	3678007

M. W.

276.55744

CAS

Similarity

N/A

ID: 236846

3-methyl-3-phenylpyrrolidine

$$$$ Data

M. F.

C11H15N

Suppliers	Catalog Number
ChemBridge	4044974
Enamine	EN300-104729

Database	Data ID
PubChem	21098616

M. W.

161.2435

CAS

Similarity

N/A

ID: 236847

2-chloro-N-[1-(4-ethylphenyl)ethyl]acetamide

$$$$ Data

M. F.

C12H16ClNO

Suppliers	Catalog Number
Enamine	EN300-10473

Database	Data ID
PubChem	3798153

M. W.

225.71454

CAS

Similarity

N/A

ID: 236848

4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine hydrochloride

$$$$ Data

M. F.

C8H12Cl2N2S

Suppliers	Catalog Number
Enamine	EN300-104730

Database	Data ID
PubChem	71755793

M. W.

239.16528

CAS

Similarity

N/A

ID: 236849

6-(propan-2-yl)pyridine-2-carboxylic acid

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Enamine	EN300-104733

Database	Data ID
PubChem	21992596

M. W.

165.18914

CAS

Similarity

N/A

ID: 236850

1-[(5-sulfanyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one

$$$$ Data

M. F.

C7H9N3O2S

Suppliers	Catalog Number
Enamine	EN300-10474

Database	Data ID
PubChem	2513435

M. W.

199.23026

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