Chembase list of 866358 unique molecular structures

7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid

$$$$ Data

M. F.

C9H5BrN2O3

Suppliers	Catalog Number
Enamine	EN300-52532

Database	Data ID
PubChem	16783974

M. W.

269.0516

CAS

Similarity

N/A

ID: 262302

5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxylic acid

$$$$ Data

M. F.

C9H7NO2S2

Suppliers	Catalog Number
Enamine	EN300-52533

Database	Data ID
PubChem	45792023

M. W.

225.28738

CAS

Similarity

N/A

ID: 262303

1-(4-bromophenyl)pentane-1,3-dione

$$$$ Data

M. F.

C11H11BrO2

Suppliers	Catalog Number
Enamine	EN300-52534

Database	Data ID
PubChem	40487329

M. W.

255.10784

CAS

Similarity

N/A

ID: 262304

4-(3-methylphenyl)butan-2-one

$$$$ Data

M. F.

C11H14O

Suppliers	Catalog Number
Enamine	EN300-52537

Database	Data ID
PubChem	10964828

M. W.

162.22826

CAS

Similarity

N/A

ID: 262305

2-bromo-1-butoxy-4-methylbenzene

$$$$ Data

M. F.

C11H15BrO

Suppliers	Catalog Number
Enamine	EN300-52539

Database	Data ID
PubChem	28602511

M. W.

243.1402

CAS

Similarity

N/A

ID: 262306

4-(3,5-difluorobenzamido)-2-hydroxybenzoic acid

$$$$ Data

M. F.

C14H9F2NO4

Suppliers	Catalog Number
Enamine	EN300-52540

Database	Data ID
PubChem	28149340

M. W.

293.2223664

CAS

Similarity

N/A

ID: 262307

3-methyl-2-(piperidin-1-yl)butanoic acid hydrochloride

$$$$ Data

M. F.

C10H20ClNO2

Suppliers	Catalog Number
Enamine	EN300-52544

Database	Data ID
PubChem	45792024

M. W.

221.7243

CAS

Similarity

N/A

ID: 262308

3-[(5-chloro-2-methoxyphenyl)amino]propanoic acid hydrochloride

$$$$ Data

M. F.

C10H13Cl2NO3

Suppliers	Catalog Number
Enamine	EN300-52545

Database	Data ID
PubChem	45792025

M. W.

266.12112

CAS

Similarity

N/A

ID: 262309

1-[3-(aminomethyl)phenyl]piperidin-2-one hydrochloride

$$$$ Data

M. F.

C12H17ClN2O

Suppliers	Catalog Number
Enamine	EN300-52546

Database	Data ID
PubChem	45792026

M. W.

240.72918

CAS

Similarity

N/A

ID: 262310

2-chloro-1-N-(1-phenylethyl)benzene-1,4-diamine hydrochloride

$$$$ Data

M. F.

C14H16Cl2N2

Suppliers	Catalog Number
Enamine	EN300-52547

Database	Data ID
PubChem	45792027

M. W.

283.19624

CAS

Similarity

N/A

ID: 262311

ethyl 5-cyano-3-methylthieno[2,3-b]pyridine-2-carboxylate

$$$$ Data

M. F.

C12H10N2O2S

Suppliers	Catalog Number
Enamine	EN300-52553

Database	Data ID
PubChem	45792028

M. W.

246.285

CAS

Similarity

N/A

ID: 262312

1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-one

$$$$ Data

M. F.

C12H13ClFNO

Suppliers	Catalog Number
Enamine	EN300-52556

Database	Data ID
PubChem	28282641

M. W.

241.6891232

CAS

Similarity

N/A

ID: 262313

1-(1-chloroethyl)-4-(trifluoromethoxy)benzene

$$$$ Data

M. F.

C9H8ClF3O

Suppliers	Catalog Number
Enamine	EN300-52557

Database	Data ID
PubChem	20619413

M. W.

224.6074296

CAS

Similarity

N/A

ID: 262314

1-(1-chloroethyl)-4-(difluoromethoxy)benzene

$$$$ Data

M. F.

C9H9ClF2O

Suppliers	Catalog Number
Enamine	EN300-52559

Database	Data ID
PubChem	43145499

M. W.

206.6169664

CAS

Similarity

N/A

ID: 262315

1-(4-chlorobenzoyl)-1,4-diazepane

$$$$ Data

M. F.

C12H15ClN2O

Suppliers	Catalog Number
Enamine	EN300-52560

Database	Data ID
PubChem	16775417

M. W.

238.7133

CAS

Similarity

N/A

ID: 262316

2-phenyloxolane-3-carboxylic acid

$$$$ Data

M. F.

C11H12O3

Suppliers	Catalog Number
Enamine	EN300-52561

Database	Data ID
PubChem	45792030

M. W.

192.21118

CAS

Similarity

N/A

ID: 262317

2-{[(2-methylphenyl)methyl]amino}acetic acid hydrochloride

$$$$ Data

M. F.

C10H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-52562

Database	Data ID
PubChem	45792031

M. W.

215.67666

CAS

Similarity

N/A

ID: 262318

7-iodo-2,3-dihydro-1H-indole-2,3-dione

$$$$ Data

M. F.

C8H4INO2

Suppliers	Catalog Number
Alfa Aesar	H52344
Enamine	EN300-52563
Bide Pharmatech	BD110718

Database	Data ID
PubChem	4043705

M. W.

273.02733

CAS

20780-78-3

Similarity

N/A

ID: 262319

bis(4-fluorophenyl)methanamine hydrochloride

$$$$ Data

M. F.

C13H12ClF2N

Suppliers	Catalog Number
Enamine	EN300-52565

Database	Data ID
PubChem	25126461

M. W.

255.6908864

CAS

Similarity

N/A

ID: 262320

N-(4-aminophenyl)-4-chloro-N-methylbenzamide

$$$$ Data

M. F.

C14H13ClN2O

Suppliers	Catalog Number
Enamine	EN300-52566

Database	Data ID
PubChem	28894442

M. W.

260.71882

CAS

Similarity

N/A

ID: 262321

4-bromo-2-fluoro-N-methylaniline hydrochloride

$$$$ Data

M. F.

C7H8BrClFN

Suppliers	Catalog Number
Enamine	EN300-52567
Bide Pharmatech	BD229634

Database	Data ID
PubChem	45792032

M. W.

240.5005232

CAS

1197930-28-1

Similarity

N/A

ID: 262322

2-(4-acetylpiperazin-1-yl)benzaldehyde

$$$$ Data

M. F.

C13H16N2O2

Suppliers	Catalog Number
Enamine	EN300-52568

Database	Data ID
PubChem	28603718

M. W.

232.27834

CAS

Similarity

N/A

ID: 262323

1-(3-methoxybenzoyl)-1,4-diazepane

$$$$ Data

M. F.

C13H18N2O2

Suppliers	Catalog Number
Enamine	EN300-52569

Database	Data ID
PubChem	16775938

M. W.

234.29422

CAS

Similarity

N/A

ID: 262324

2-bromo-4,5-diethoxyaniline

$$$$ Data

M. F.

C10H14BrNO2

Suppliers	Catalog Number
Enamine	EN300-52570

Database	Data ID
PubChem	43152919

M. W.

260.12766

CAS

Similarity

N/A

ID: 262325

N-ethyl-6-methoxypyridin-3-amine

$$$$ Data

M. F.

C8H12N2O

Suppliers	Catalog Number
Enamine	EN300-52571

Database	Data ID
PubChem	20786149

M. W.

152.19368

CAS

Similarity

N/A

ID: 262326

[(4-bromophenyl)methyl][2-(dimethylamino)ethyl]amine

$$$$ Data

M. F.

C11H17BrN2

Suppliers	Catalog Number
Enamine	EN300-52572

Database	Data ID
PubChem	3300601

M. W.

257.17008

CAS

Similarity

N/A

ID: 262327

3-methyl-2-(pyrrolidin-1-yl)butanoic acid hydrochloride

$$$$ Data

M. F.

C9H18ClNO2

Suppliers	Catalog Number
Enamine	EN300-52577

Database	Data ID
PubChem	45792033

M. W.

207.69772

CAS

Similarity

N/A

ID: 262328

2-(furan-2-yl)cyclopropane-1-carboxylic acid

$$$$ Data

M. F.

C8H8O3

Suppliers	Catalog Number
Enamine	EN300-52578

Database	Data ID
PubChem	43115264

M. W.

152.14732

CAS

Similarity

N/A

ID: 262329

4-(2-methoxyethoxy)butanenitrile

$$$$ Data

M. F.

C7H13NO2

Suppliers	Catalog Number
Enamine	EN300-52580

Database	Data ID
PubChem	24708642

M. W.

143.18362

CAS

Similarity

N/A

ID: 262330

3-{[(3,4-dichlorophenyl)methyl]amino}propan-1-ol hydrochloride

$$$$ Data

M. F.

C10H14Cl3NO

Suppliers	Catalog Number
Enamine	EN300-52583

Database	Data ID
PubChem	24190013

M. W.

270.58326

CAS

Similarity

N/A

ID: 262331

(4-aminobutyl)diethylamine dihydrochloride

$$$$ Data

M. F.

C8H22Cl2N2

Suppliers	Catalog Number
Enamine	EN300-52585

Database	Data ID
PubChem	45792034

M. W.

217.17968

CAS

Similarity

N/A

ID: 262332

3-chloro-4-(cyclopentyloxy)aniline hydrochloride

$$$$ Data

M. F.

C11H15Cl2NO

Suppliers	Catalog Number
Enamine	EN300-52586

Database	Data ID
PubChem	45792035

M. W.

248.1489

CAS

Similarity

N/A

ID: 262333

4-amino-N-(2,4-dichlorophenyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C12H10Cl2N2O2S

Suppliers	Catalog Number
Enamine	EN300-52587

Database	Data ID
PubChem	17608904

M. W.

317.191

CAS

Similarity

N/A

ID: 262334

3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbaldehyde

$$$$ Data

M. F.

C8H8N4O3

Suppliers	Catalog Number
Enamine	EN300-52588

Database	Data ID
PubChem	816898

M. W.

208.17412

CAS

Similarity

N/A

ID: 262335

8-(chloromethyl)-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

$$$$ Data

M. F.

C8H9ClN4O2

Suppliers	Catalog Number
Enamine	EN300-52589

Database	Data ID
PubChem	271288

M. W.

228.63566

CAS

Similarity

N/A

ID: 262336

ethyl 5-(bromomethyl)-1-benzofuran-2-carboxylate

$$$$ Data

M. F.

C12H11BrO3

Suppliers	Catalog Number
Enamine	EN300-52590

Database	Data ID
PubChem	15675414

M. W.

283.11794

CAS

Similarity

N/A

ID: 262337

2H-1λ⁶,2,4-benzothiadiazine-1,1-dione

$$$$ Data

M. F.

C7H6N2O2S

Suppliers	Catalog Number
Enamine	EN300-52591

Database	Data ID
PubChem	67756

M. W.

182.19974

CAS

Similarity

N/A

ID: 262338

1-(3-chlorobenzoyl)-1,4-diazepane

$$$$ Data

M. F.

C12H15ClN2O

Suppliers	Catalog Number
Enamine	EN300-52592

Database	Data ID
PubChem	16775781

M. W.

238.7133

CAS

Similarity

N/A

ID: 262339

1-(2-chlorobenzoyl)-1,4-diazepane

$$$$ Data

M. F.

C12H15ClN2O

Suppliers	Catalog Number
Enamine	EN300-52593

Database	Data ID
PubChem	16777333

M. W.

238.7133

CAS

Similarity

N/A

ID: 262340

1-amino-N-(propan-2-yl)cyclohexane-1-carboxamide

$$$$ Data

M. F.

C10H20N2O

Suppliers	Catalog Number
Enamine	EN300-52594

Database	Data ID
PubChem	24699756

M. W.

184.2786

CAS

Similarity

N/A

ID: 262341

ethyl 4-(aminomethyl)benzoate hydrochloride

$$$$ Data

M. F.

C10H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-52595

Database	Data ID
PubChem	16236386

M. W.

215.67666

CAS

Similarity

N/A

ID: 262342

3-(naphthalene-2-sulfonamido)benzoic acid

$$$$ Data

M. F.

C17H13NO4S

Suppliers	Catalog Number
Enamine	EN300-52598

Database	Data ID
PubChem	730263

M. W.

327.35442

CAS

Similarity

N/A

ID: 262343

N'-[(3Z)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]pyridine-3-carbohydrazide

$$$$ Data

M. F.

C15H12N4O2

Suppliers	Catalog Number
Enamine	EN300-52599

Database	Data ID
PubChem	6890232

M. W.

280.28138

CAS

Similarity

N/A

ID: 262344

(2R,14R,15R)-14-ethynyl-15-methyl-5-oxotetracyclo[8.7.0.0²,⁷

$$$$ Data

M. F.

C22H28O3

Suppliers	Catalog Number
Enamine	EN300-52613

Database	Data ID
PubChem	45792036

M. W.

340.45592

CAS

Similarity

N/A

ID: 262345

3-[(3-phenylpropyl)amino]propan-1-ol

$$$$ Data

M. F.

C12H19NO

Suppliers	Catalog Number
Enamine	EN300-52616

Database	Data ID
PubChem	28715676

M. W.

193.28536

CAS

Similarity

N/A

ID: 262346

1-(2-aminopropoxy)-2-fluorobenzene

$$$$ Data

M. F.

C9H12FNO

Suppliers	Catalog Number
Enamine	EN300-52617

Database	Data ID
PubChem	16789586

M. W.

169.1960832

CAS

Similarity

N/A

ID: 262347

1-(2-aminopropoxy)-4-methylbenzene

$$$$ Data

M. F.

C10H15NO

Suppliers	Catalog Number
ChemBridge	4027657
Enamine	EN300-52618

Database	Data ID
PubChem	12812658

M. W.

165.2322

CAS

61711-87-3

Similarity

N/A

ID: 262348

tert-butyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]carbamate

$$$$ Data

M. F.

C15H22N2O2

Suppliers	Catalog Number
Enamine	EN300-52619

Database	Data ID
PubChem	394091

M. W.

262.34738

CAS

Similarity

N/A

ID: 262349

2,2,6,6-tetrafluoromorpholine

$$$$ Data

M. F.

C4H5F4NO

Suppliers	Catalog Number
Enamine	EN300-52620

Database	Data ID
PubChem	21732460

M. W.

159.0822128

CAS

Similarity

N/A

ID: 262350

(1R)-1-(2-methylphenyl)ethan-1-amine

$$$$ Data

M. F.

C9H13N

Suppliers	Catalog Number
Enamine	EN300-52633

Database	Data ID
PubChem	2530253

M. W.

135.20622

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