Chembase list of 866358 unique molecular structures

7-(pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline

$$$$ Data

M. F.

C13H18N2O2S

Suppliers	Catalog Number
Enamine	EN300-79816

Database	Data ID
PubChem	28263220

M. W.

266.35922

CAS

Similarity

N/A

ID: 276202

bis(2-[3-(morpholin-4-yl)propyl]guanidine); sulfuric acid

$$$$ Data

M. F.

C16H38N8O6S

Suppliers	Catalog Number
Enamine	EN300-79817

Database	Data ID
PubChem	54594056

M. W.

470.58792

CAS

Similarity

N/A

ID: 276203

7-(morpholine-4-sulfonyl)-1,2,3,4-tetrahydroisoquinoline

$$$$ Data

M. F.

C13H18N2O3S

Suppliers	Catalog Number
Enamine	EN300-79818

Database	Data ID
PubChem	21983663

M. W.

282.35862

CAS

Similarity

N/A

ID: 276204

5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C7H6N4S

Suppliers	Catalog Number
Enamine	EN300-79820

Database	Data ID
PubChem	3007102

M. W.

178.21434

CAS

Similarity

N/A

ID: 276205

bis(2-cyclopentylguanidine); sulfuric acid

$$$$ Data

M. F.

C12H28N6O4S

Suppliers	Catalog Number
Enamine	EN300-79823

Database	Data ID
PubChem	54594057

M. W.

352.45352

CAS

Similarity

N/A

ID: 276206

N-[1-(2H-1,2,3,4-tetrazol-5-yl)cyclopentyl]benzamide

$$$$ Data

M. F.

C13H15N5O

Suppliers	Catalog Number
Enamine	EN300-79825

Database	Data ID
PubChem	54594058

M. W.

257.2911

CAS

Similarity

N/A

ID: 276207

3-(4-chloro-2-nitrophenoxy)propanoic acid

$$$$ Data

M. F.

C9H8ClNO5

Suppliers	Catalog Number
Enamine	EN300-79828

Database	Data ID
PubChem	24689692

M. W.

245.61652

CAS

Similarity

N/A

ID: 276208

2-amino-1,3-benzoxazole-6-carboxamide

$$$$ Data

M. F.

C8H7N3O2

Suppliers	Catalog Number
Enamine	EN300-79830

Database	Data ID
PubChem	54594059

M. W.

177.16008

CAS

Similarity

N/A

ID: 276209

2-amino-N-methyl-1,3-benzoxazole-6-carboxamide

$$$$ Data

M. F.

C9H9N3O2

Suppliers	Catalog Number
Enamine	EN300-79831

Database	Data ID
PubChem	54594060

M. W.

191.18666

CAS

Similarity

N/A

ID: 276210

2-amino-N,N-dimethyl-1,3-benzoxazole-6-carboxamide

$$$$ Data

M. F.

C10H11N3O2

Suppliers	Catalog Number
Enamine	EN300-79832

Database	Data ID
PubChem	54594061

M. W.

205.21324

CAS

Similarity

N/A

ID: 276211

6-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-amine

$$$$ Data

M. F.

C12H13N3O2

Suppliers	Catalog Number
Enamine	EN300-79833

Database	Data ID
PubChem	54594062

M. W.

231.25052

CAS

Similarity

N/A

ID: 276212

6-(piperidine-1-carbonyl)-1,3-benzoxazol-2-amine

$$$$ Data

M. F.

C13H15N3O2

Suppliers	Catalog Number
Enamine	EN300-79834

Database	Data ID
PubChem	54594063

M. W.

245.2771

CAS

Similarity

N/A

ID: 276213

6-(piperazine-1-carbonyl)-1,3-benzoxazol-2-amine

$$$$ Data

M. F.

C12H14N4O2

Suppliers	Catalog Number
Enamine	EN300-79835

Database	Data ID
PubChem	54594064

M. W.

246.26516

CAS

Similarity

N/A

ID: 276214

6-(morpholine-4-carbonyl)-1,3-benzoxazol-2-amine

$$$$ Data

M. F.

C12H13N3O3

Suppliers	Catalog Number
Enamine	EN300-79836

Database	Data ID
PubChem	54594065

M. W.

247.24992

CAS

Similarity

N/A

ID: 276215

2-amino-N-ethyl-1,3-benzoxazole-6-carboxamide

$$$$ Data

M. F.

C10H11N3O2

Suppliers	Catalog Number
Enamine	EN300-79837

Database	Data ID
PubChem	54594066

M. W.

205.21324

CAS

Similarity

N/A

ID: 276216

1-(3-chloropropyl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C7H9ClN2O

Suppliers	Catalog Number
Enamine	EN300-79838

Database	Data ID
PubChem	54594067

M. W.

172.61216

CAS

Similarity

N/A

ID: 276217

1-(3-chloropropyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C9H13ClN2O

Suppliers	Catalog Number
Enamine	EN300-79839

Database	Data ID
PubChem	54594068

M. W.

200.66532

CAS

Similarity

N/A

ID: 276218

1-(3-chloropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C9H13ClN2O2

Suppliers	Catalog Number
Enamine	EN300-79840

Database	Data ID
PubChem	54594069

M. W.

216.66472

CAS

Similarity

N/A

ID: 276219

1-(3-chloropropyl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C7H9ClN2O2

Suppliers	Catalog Number
Enamine	EN300-79841

Database	Data ID
PubChem	54594070

M. W.

188.61156

CAS

Similarity

N/A

ID: 276220

3-(chlorosulfonyl)-5-methyl-[1,2,4]triazolo[3,4-b][1,3]thiazole-6-carboxylic aci...

$$$$ Data

M. F.

C6H4ClN3O4S2

Suppliers	Catalog Number
Enamine	EN300-79842

Database	Data ID
PubChem	54594071

M. W.

281.69666

CAS

Similarity

N/A

ID: 276221

1-bromo-5-methoxypentane

$$$$ Data

M. F.

C6H13BrO

Suppliers	Catalog Number
Enamine	EN300-79845

Database	Data ID
PubChem	542342

M. W.

181.07082

CAS

Similarity

N/A

ID: 276222

N-[(2,5-difluorophenyl)methyl]aniline

$$$$ Data

M. F.

C13H11F2N

Suppliers	Catalog Number
Enamine	EN300-79847

Database	Data ID
PubChem	43312511

M. W.

219.2299464

CAS

Similarity

N/A

ID: 276223

2,2-difluoro-2-phenoxyacetic acid

$$$$ Data

M. F.

C8H6F2O3

Suppliers	Catalog Number
Enamine	EN300-79848

Database	Data ID
PubChem	43651829

M. W.

188.1282464

CAS

Similarity

N/A

ID: 276224

1-(4-difluoromethanesulfonylphenyl)ethan-1-one

$$$$ Data

M. F.

C9H8F2O3S

Suppliers	Catalog Number
Enamine	EN300-79849

Database	Data ID
PubChem	15029609

M. W.

234.2198264

CAS

Similarity

N/A

ID: 276225

5-bromo-2-sulfanylidene-1,2-dihydropyridine-3-carboxylic acid

$$$$ Data

M. F.

C6H4BrNO2S

Suppliers	Catalog Number
Enamine	EN300-79850

Database	Data ID
PubChem	53621260

M. W.

234.07046

CAS

Similarity

N/A

ID: 276226

3-(2-bromoethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

$$$$ Data

M. F.

C9H13BrN2O2

Suppliers	Catalog Number
Enamine	EN300-79851

Database	Data ID
PubChem	24689256

M. W.

261.11572

CAS

Similarity

N/A

ID: 276227

5-(benzylamino)-2,3-dihydro-1H-1,3-benzodiazol-2-one

$$$$ Data

M. F.

C14H13N3O

Suppliers	Catalog Number
Enamine	EN300-79852

Database	Data ID
PubChem	17058789

M. W.

239.27252

CAS

Similarity

N/A

ID: 276228

5-{[(2-fluorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one

$$$$ Data

M. F.

C14H12FN3O

Suppliers	Catalog Number
Enamine	EN300-79853

Database	Data ID
PubChem	3162122

M. W.

257.2629832

CAS

Similarity

N/A

ID: 276229

5-{[(3-methylphenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one

$$$$ Data

M. F.

C15H15N3O

Suppliers	Catalog Number
Enamine	EN300-79854

Database	Data ID
PubChem	28622207

M. W.

253.2991

CAS

Similarity

N/A

ID: 276230

5-{[(4-chlorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one

$$$$ Data

M. F.

C14H12ClN3O

Suppliers	Catalog Number
Enamine	EN300-79855

Database	Data ID
PubChem	6492058

M. W.

273.71758

CAS

Similarity

N/A

ID: 276231

5-{[(2-methylphenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one

$$$$ Data

M. F.

C15H15N3O

Suppliers	Catalog Number
Enamine	EN300-79856

Database	Data ID
PubChem	17058909

M. W.

253.2991

CAS

Similarity

N/A

ID: 276232

propyl 4-methylpentanoate

$$$$ Data

M. F.

C9H18O2

Suppliers	Catalog Number
Enamine	EN300-79858

Database	Data ID
PubChem	527991

M. W.

158.23802

CAS

Similarity

N/A

ID: 276233

2-[(2-methylpropyl)amino]-1-phenylethan-1-ol

$$$$ Data

M. F.

C12H19NO

Suppliers	Catalog Number
Enamine	EN300-79859

Database	Data ID
PubChem	3939463

M. W.

193.28536

CAS

Similarity

N/A

ID: 276234

3-[(4-fluorophenyl)methylidene]pyrrolidine-2,5-dione

$$$$ Data

M. F.

C11H8FNO2

Suppliers	Catalog Number
Enamine	EN300-79863

Database	Data ID
PubChem	54594072

M. W.

205.1851232

CAS

Similarity

N/A

ID: 276235

pent-4-ene-1-sulfonamide

$$$$ Data

M. F.

C5H11NO2S

Suppliers	Catalog Number
Enamine	EN300-79869

Database	Data ID
PubChem	11788380

M. W.

149.21134

CAS

Similarity

N/A

ID: 276236

N-[(4-aminophenyl)methyl]-N-(propan-2-yl)acetamide

$$$$ Data

M. F.

C12H18N2O

Suppliers	Catalog Number
Enamine	EN300-79871

Database	Data ID
PubChem	43459981

M. W.

206.28412

CAS

Similarity

N/A

ID: 276237

2,2-dimethyl-3-phenylpropan-1-amine hydrochloride

$$$$ Data

M. F.

C11H18ClN

Suppliers	Catalog Number
Enamine	EN300-79872

Database	Data ID
PubChem	54594073

M. W.

199.72032

CAS

Similarity

N/A

ID: 276238

7-amino-1,2,3,4-tetrahydroisoquinolin-1-one hydrochloride

$$$$ Data

M. F.

C9H11ClN2O

Suppliers	Catalog Number
Enamine	EN300-79873

Database	Data ID
PubChem	54594074

M. W.

198.64944

CAS

Similarity

N/A

ID: 276239

4-methyl-3-{[(5-methyl-1H-imidazol-4-yl)methyl]amino}benzoic acid

$$$$ Data

M. F.

C13H15N3O2

Suppliers	Catalog Number
Enamine	EN300-79875

Database	Data ID
PubChem	54594075

M. W.

245.2771

CAS

Similarity

N/A

ID: 276240

3-bromo-1-(4-fluoro-2-methylphenyl)piperidin-2-one

$$$$ Data

M. F.

C12H13BrFNO

Suppliers	Catalog Number
Enamine	EN300-79877

Database	Data ID
PubChem	54594076

M. W.

286.1401232

CAS

Similarity

N/A

ID: 276241

methyl 3-aminobicyclo[2.2.1]heptane-2-carboxylate hydrochloride

$$$$ Data

M. F.

C9H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-79878

Database	Data ID
PubChem	54594077

M. W.

205.68184

CAS

Similarity

N/A

ID: 276242

N-(4-amino-2,6-dichlorophenyl)thiophene-3-carboxamide

$$$$ Data

M. F.

C11H8Cl2N2OS

Suppliers	Catalog Number
Enamine	EN300-79879

Database	Data ID
PubChem	16776657

M. W.

287.16502

CAS

Similarity

N/A

ID: 276243

4-[(3-methoxyphenyl)amino]butanoic acid

$$$$ Data

M. F.

C11H15NO3

Suppliers	Catalog Number
Enamine	EN300-79880

Database	Data ID
PubChem	18072753

M. W.

209.2417

CAS

Similarity

N/A

ID: 276244

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-(difluoromethyl)-3-methyl-1H-pyra...

$$$$ Data

M. F.

C12H7ClF5N3O2

Suppliers	Catalog Number
Enamine	EN300-79881

Database	Data ID
PubChem	54594079

M. W.

355.647896

CAS

Similarity

N/A

ID: 276245

ethyl 2-bromo-5-(methylamino)-1,3-thiazole-4-carboxylate

$$$$ Data

M. F.

C7H9BrN2O2S

Suppliers	Catalog Number
Enamine	EN300-79885

Database	Data ID
PubChem	53613688

M. W.

265.12756

CAS

Similarity

N/A

ID: 276246

2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol

$$$$ Data

M. F.

C12H18O2

Suppliers	Catalog Number
Enamine	EN300-79886

Database	Data ID
PubChem	74816

M. W.

194.27012

CAS

Similarity

N/A

ID: 276247

4-chloro-N-(propan-2-yl)phthalazin-1-amine

$$$$ Data

M. F.

C11H12ClN3

Suppliers	Catalog Number
Enamine	EN300-79895

Database	Data ID
PubChem	53337721

M. W.

221.68608

CAS

Similarity

N/A

ID: 276248

4-[(propan-2-yl)amino]phthalazin-1-ol

$$$$ Data

M. F.

C11H13N3O

Suppliers	Catalog Number
Enamine	EN300-79896

Database	Data ID
PubChem	12468474

M. W.

203.24042

CAS

Similarity

N/A

ID: 276249

4-(ethylamino)-1,2-dihydrophthalazin-1-one

$$$$ Data

M. F.

C10H11N3O

Suppliers	Catalog Number
Enamine	EN300-79897

Database	Data ID
PubChem	12468472

M. W.

189.21384

CAS

Similarity

N/A

ID: 276250

4-(dimethylamino)-1,2-dihydrophthalazin-1-one

$$$$ Data

M. F.

C10H11N3O

Suppliers	Catalog Number
Enamine	EN300-79898

Database	Data ID
PubChem	53013419

M. W.

189.21384

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