Chembase list of 866358 unique molecular structures

1-(5-acetyl-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

$$$$ Data

M. F.

C13H15NO2

Suppliers	Catalog Number
Bide Pharmatech	BD241562

Database	Data ID
PubChem	70700994

M. W.

217.2637

CAS

108825-20-3

Similarity

N/A

ID: 292702

tert-butyl 7-acetyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

$$$$ Data

M. F.

C16H21NO3

Suppliers	Catalog Number
Bide Pharmatech	BD241563

Database	Data ID
PubChem	70700993

M. W.

275.34284

CAS

149353-74-2

Similarity

N/A

ID: 292703

1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethan-1-one hydrochloride

$$$$ Data

M. F.

C11H14ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD241564

Database	Data ID
PubChem	12823193

M. W.

211.68796

CAS

82771-27-5

Similarity

N/A

ID: 292704

1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethan-1-one

$$$$ Data

M. F.

C11H13NO

Suppliers	Catalog Number
Bide Pharmatech	BD241565

Database	Data ID
PubChem	57420565

M. W.

175.22702

CAS

949922-27-4

Similarity

N/A

ID: 292705

1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethan-1-one hydrochloride

$$$$ Data

M. F.

C11H14ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD241566

Database	Data ID
PubChem	68518451

M. W.

211.68796

CAS

1211876-16-2

Similarity

N/A

ID: 292706

1-(2-chloropyrimidin-4-yl)ethan-1-one

$$$$ Data

M. F.

C6H5ClN2O

Suppliers	Catalog Number
Bide Pharmatech	BD241567

Database	Data ID
PubChem	44613878

M. W.

156.5697

CAS

1312535-78-6

Similarity

N/A

ID: 292707

6-iodo-5-methyl-1H-indole

$$$$ Data

M. F.

C9H8IN

Suppliers	Catalog Number
Bide Pharmatech	BD241568

Database	Data ID
PubChem	10706264

M. W.

257.07099

CAS

1026581-42-9

Similarity

N/A

ID: 292708

6-chloro-5-methyl-1H-indole

$$$$ Data

M. F.

C9H8ClN

Suppliers	Catalog Number
Bide Pharmatech	BD241569

Database	Data ID
PubChem	10773354

M. W.

165.61952

CAS

162100-42-7

Similarity

N/A

ID: 292709

1-fluoro-2,4-dimethyl-5-nitrobenzene

$$$$ Data

M. F.

C8H8FNO2

Suppliers	Catalog Number
Bide Pharmatech	BD241571

Database	Data ID
PubChem	308079

M. W.

169.1530232

CAS

345-22-2

Similarity

N/A

ID: 292710

1-methyl-1,4-diazepan-5-one hydrochloride

$$$$ Data

M. F.

C6H13ClN2O

Suppliers	Catalog Number
Bide Pharmatech	BD241572

Database	Data ID
PubChem	70700992

M. W.

164.63322

CAS

854828-87-8

Similarity

N/A

ID: 292711

3-[(2,4-dichlorophenyl)methoxy]pyrrolidine

$$$$ Data

M. F.

C11H13Cl2NO

Suppliers	Catalog Number
Bide Pharmatech	BD241573

Database	Data ID
PubChem	56831019

M. W.

246.13302

CAS

1216252-62-8

Similarity

N/A

ID: 292712

methyl 3,3,3-trifluoro-2-methylpropanoate

$$$$ Data

M. F.

C5H7F3O2

Suppliers	Catalog Number
Bide Pharmatech	BD241575

Database	Data ID
PubChem	13183701

M. W.

156.1030896

CAS

339-17-3

Similarity

N/A

ID: 292713

ethyl 3,3,3-trifluoro-2-methylpropanoate

$$$$ Data

M. F.

C6H9F3O2

Suppliers	Catalog Number
Bide Pharmatech	BD241576

Database	Data ID
PubChem	13183700

M. W.

170.1296696

CAS

56354-75-7

Similarity

N/A

ID: 292714

3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine

$$$$ Data

M. F.

C7H8N4

Suppliers	Catalog Number
ChemBridge	4041114
Bide Pharmatech	BD241577

Database	Data ID
PubChem	590474

M. W.

148.16522

CAS

31040-12-7

Similarity

N/A

ID: 292715

3-methyl-7-nitro-[1,2,4]triazolo[4,3-a]pyridine

$$$$ Data

M. F.

C7H6N4O2

Suppliers	Catalog Number
Bide Pharmatech	BD241578

Database	Data ID
PubChem	68586674

M. W.

178.14814

CAS

1214900-91-0

Similarity

N/A

ID: 292716

6-chloro-5-methyl-3-nitropyridin-2-amine

$$$$ Data

M. F.

C6H6ClN3O2

Suppliers	Catalog Number
Bide Pharmatech	BD241579

Database	Data ID
PubChem	21837379

M. W.

187.58374

CAS

202217-19-4

Similarity

N/A

ID: 292717

ethyl 3-amino-5,6-dichloropyrazine-2-carboxylate

$$$$ Data

M. F.

C7H7Cl2N3O2

Suppliers	Catalog Number
Bide Pharmatech	BD241580

Database	Data ID
PubChem	13245547

M. W.

236.05538

CAS

86882-92-0

Similarity

N/A

ID: 292718

1-nitrobutan-2-one

$$$$ Data

M. F.

C4H7NO3

Suppliers	Catalog Number
Bide Pharmatech	BD241581

Database	Data ID
PubChem	13262584

M. W.

117.10328

CAS

22920-77-0

Similarity

N/A

ID: 292719

methyl 5-amino-2-methylpyridine-3-carboxylate

$$$$ Data

M. F.

C8H10N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241582

Database	Data ID
PubChem	60727862

M. W.

166.1772

CAS

936130-28-8

Similarity

N/A

ID: 292720

methyl 5-bromo-2-methylpyridine-3-carboxylate

$$$$ Data

M. F.

C8H8BrNO2

Suppliers	Catalog Number
Bide Pharmatech	BD241583

Database	Data ID
PubChem	70700991

M. W.

230.05862

CAS

1215916-40-7

Similarity

N/A

ID: 292721

ethyl 7H-pyrrolo[2,3-b]pyridine-6-carboxylate

$$$$ Data

M. F.

C10H10N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241584

Database	Data ID
PubChem	70700990

M. W.

190.1986

CAS

1261537-34-1

Similarity

N/A

ID: 292722

2-(1-methylpyrrolidin-3-yl)acetic acid hydrochloride

$$$$ Data

M. F.

C7H14ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD241585

Database	Data ID
PubChem	70700989

M. W.

179.64456

CAS

1071634-26-8

Similarity

N/A

ID: 292723

ethyl 2-(1-methylpyrrolidin-3-yl)acetate

$$$$ Data

M. F.

C9H17NO2

Suppliers	Catalog Number
Bide Pharmatech	BD241586

Database	Data ID
PubChem	70700988

M. W.

171.23678

CAS

103038-21-7

Similarity

N/A

ID: 292724

4-(trifluoromethyl)-2,3-dihydro-1H-indole hydrochloride

$$$$ Data

M. F.

C9H9ClF3N

Suppliers	Catalog Number
Bide Pharmatech	BD241587

Database	Data ID
PubChem	45789756

M. W.

223.6226696

CAS

1209980-57-3

Similarity

N/A

ID: 292725

7-(trifluoromethyl)-2,3-dihydro-1H-indole

$$$$ Data

M. F.

C9H8F3N

Suppliers	Catalog Number
Bide Pharmatech	BD241588

Database	Data ID
PubChem	34175923

M. W.

187.1617296

CAS

959236-00-1

Similarity

N/A

ID: 292726

4-bromo-3-methyl-2-nitrophenol

$$$$ Data

M. F.

C7H6BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD241589

Database	Data ID
PubChem	13088179

M. W.

232.03144

CAS

85598-12-5

Similarity

N/A

ID: 292727

ethyl 6-bromopyrazolo[1,5-a]pyridine-3-carboxylate

$$$$ Data

M. F.

C10H9BrN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241590

Database	Data ID
PubChem	12208504

M. W.

269.09466

CAS

55899-30-4

Similarity

N/A

ID: 292728

4-chloro-1H-indole-2-carbonitrile

$$$$ Data

M. F.

C9H5ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD241591

Database	Data ID
PubChem	14081539

M. W.

176.6024

CAS

4404-11-9

Similarity

N/A

ID: 292729

5-bromo-1H-indole-2-carbonitrile

$$$$ Data

M. F.

C9H5BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD241592
A&J Pharmtech	AJA-O9292

Database	Data ID
PubChem	68473340

M. W.

221.0534

CAS

902772-13-8

Similarity

N/A

ID: 292730

(4-bromofuran-2-yl)methanol

$$$$ Data

M. F.

C5H5BrO2

Suppliers	Catalog Number
Bide Pharmatech	BD241593

Database	Data ID
PubChem	12289784

M. W.

176.996

CAS

59413-71-7

Similarity

N/A

ID: 292731

3-iodo-5-methyl-1H-pyrazole

$$$$ Data

M. F.

C4H5IN2

Suppliers	Catalog Number
Bide Pharmatech	BD241595

Database	Data ID
PubChem	14573935

M. W.

208.00037

CAS

93233-21-7

Similarity

N/A

ID: 292732

ethyl 3-(hydroxymethyl)-5-methoxybenzoate

$$$$ Data

M. F.

C11H14O4

Suppliers	Catalog Number
Bide Pharmatech	BD241596

Database	Data ID
PubChem	15472359

M. W.

210.22646

CAS

367519-86-6

Similarity

N/A

ID: 292733

1-(3-chloro-2-methoxyphenyl)ethan-1-one

$$$$ Data

M. F.

C9H9ClO2

Suppliers	Catalog Number
Bide Pharmatech	BD241597

Database	Data ID
PubChem	598198

M. W.

184.61956

CAS

99585-09-8

Similarity

N/A

ID: 292734

4-chloro-3-ethoxypyridine

$$$$ Data

M. F.

C7H8ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD241598

Database	Data ID
PubChem	23436941

M. W.

157.59752

CAS

1003711-81-6

Similarity

N/A

ID: 292735

2-methylmorpholine hydrochloride

$$$$ Data

M. F.

C5H12ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD241599

Database	Data ID
PubChem	22605557

M. W.

137.60788

CAS

59229-57-1

Similarity

N/A

ID: 292736

4-benzyl-2-methylmorpholine

$$$$ Data

M. F.

C12H17NO

Suppliers	Catalog Number
Bide Pharmatech	BD241600

Database	Data ID
PubChem	12294088

M. W.

191.26948

CAS

32730-38-4

Similarity

N/A

ID: 292737

4-benzyl-2-methylmorpholine hydrochloride

$$$$ Data

M. F.

C12H18ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD241601

Database	Data ID
PubChem	70700987

M. W.

227.73042

CAS

144053-96-3

Similarity

N/A

ID: 292738

tert-butyl 2-methylmorpholine-4-carboxylate

$$$$ Data

M. F.

C10H19NO3

Suppliers	Catalog Number
Bide Pharmatech	BD241602

Database	Data ID
PubChem	23562637

M. W.

201.26276

CAS

1062174-58-6

Similarity

N/A

ID: 292739

4-benzoyl-2-methylmorpholine

$$$$ Data

M. F.

C12H15NO2

Suppliers	Catalog Number
Bide Pharmatech	BD241603

Database	Data ID
PubChem	12294089

M. W.

205.253

CAS

19202-03-0

Similarity

N/A

ID: 292740

benzyl 2-methylmorpholine-4-carboxylate

$$$$ Data

M. F.

C13H17NO3

Suppliers	Catalog Number
Bide Pharmatech	BD241604

Database	Data ID
PubChem	70700986

M. W.

235.27898

CAS

1217098-31-1

Similarity

N/A

ID: 292741

4-(benzenesulfonyl)-2-methylmorpholine

$$$$ Data

M. F.

C11H15NO3S

Suppliers	Catalog Number
Bide Pharmatech	BD241605

Database	Data ID
PubChem	51294924

M. W.

241.3067

CAS

1219152-02-9

Similarity

N/A

ID: 292742

2-methyl-4-(4-methylbenzenesulfonyl)morpholine

$$$$ Data

M. F.

C12H17NO3S

Suppliers	Catalog Number
Bide Pharmatech	BD241606

Database	Data ID
PubChem	21106412

M. W.

255.33328

CAS

503469-23-6

Similarity

N/A

ID: 292743

tert-butyl 3-oxo-4-(trifluoroacetyl)piperidine-1-carboxylate

$$$$ Data

M. F.

C12H16F3NO4

Suppliers	Catalog Number
Bide Pharmatech	BD241608

Database	Data ID
PubChem	18456551

M. W.

295.2549496

CAS

647863-25-0

Similarity

N/A

ID: 292744

3-(benzyloxy)pyridine-2-carbonitrile

$$$$ Data

M. F.

C13H10N2O

Suppliers	Catalog Number
Bide Pharmatech	BD241609

Database	Data ID
PubChem	22258953

M. W.

210.2313

CAS

24059-90-3

Similarity

N/A

ID: 292745

5-(benzyloxy)pyridine-2-carbonitrile

$$$$ Data

M. F.

C13H10N2O

Suppliers	Catalog Number
Bide Pharmatech	BD241610

Database	Data ID
PubChem	15574701

M. W.

210.2313

CAS

78760-60-8

Similarity

N/A

ID: 292746

5-[(4-methoxyphenyl)methoxy]pyridine-2-carbonitrile

$$$$ Data

M. F.

C14H12N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241611

Database	Data ID
PubChem	45380196

M. W.

240.25728

CAS

917910-75-9

Similarity

N/A

ID: 292747

methyl 3-bromo-2-methoxybenzoate

$$$$ Data

M. F.

C9H9BrO3

Suppliers	Catalog Number
Bide Pharmatech	BD241612

Database	Data ID
PubChem	46311082

M. W.

245.06996

CAS

260806-90-4

Similarity

N/A

ID: 292748

ethyl 3-bromo-2-methoxybenzoate

$$$$ Data

M. F.

C10H11BrO3

Suppliers	Catalog Number
Bide Pharmatech	BD241613

Database	Data ID
PubChem	46311274

M. W.

259.09654

CAS

1106304-74-8

Similarity

N/A

ID: 292749

1-(3-bromo-2-methoxyphenyl)ethan-1-one

$$$$ Data

M. F.

C9H9BrO2

Suppliers	Catalog Number
Bide Pharmatech	BD241614

Database	Data ID
PubChem	59544891

M. W.

229.07056

CAS

267651-23-0

Similarity

N/A

ID: 292750

methyl imidazo[1,5-a]pyridine-5-carboxylate

$$$$ Data

M. F.

C9H8N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241615

Database	Data ID
PubChem	55264499

M. W.

176.17202

CAS

141912-71-2

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