Chembase list of 866358 unique molecular structures

(2S)-2-amino-2-(4-chlorophenyl)acetic acid

$$$$

M. F.

C8H8ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16834

Database

Data ID

M. W.

185.60762

CAS

67336-19-0

Similarity

N/A

ID: 800802

(2R)-2-amino-2-(4-chlorophenyl)acetic acid

$$$$

M. F.

C8H8ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16835

Database

Data ID

M. W.

185.60762

CAS

43189-43-1

Similarity

N/A

ID: 800803

methyl 3-(5-bromothiophen-2-yl)prop-2-enoate

$$$$

M. F.

C8H7BrO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16842

Database

Data ID

M. W.

247.10898

CAS

64389-22-6

Similarity

N/A

ID: 800804

{2-[bis(propan-2-yl)amino]ethyl}thiourea

$$$$

M. F.

C9H21N3S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16843

Database

Data ID

M. W.

203.34814

CAS

886363-52-6

Similarity

N/A

ID: 800805

2-(4-{1-[(dimethylsilyl)oxy]-2,2-dimethylpropyl}phenyl)acetic acid

$$$$

M. F.

C15H24O3Si

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16845

Database

Data ID

M. W.

280.43476

CAS

886363-54-8

Similarity

N/A

ID: 800806

5-chloro-1,3-benzothiazole-2-carboxylic acid

$$$$

M. F.

C8H4ClNO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16847

Database

Data ID

M. W.

213.64086

CAS

3507-53-7

Similarity

N/A

ID: 800807

benzyl 6-amino-5-oxo-1,4-diazepane-1-carboxylate

$$$$

M. F.

C13H17N3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16850

Database

Data ID

M. W.

263.29238

CAS

784156-97-4

Similarity

N/A

ID: 800808

tert-butyl 4-amino-5,7-dichloro-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C14H18Cl2N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16851

Database

Data ID

M. W.

317.21092

CAS

886362-15-8

Similarity

N/A

ID: 800809

tert-butyl 5,7-dichloro-4-oxo-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C14H15Cl2NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16852

Database

Data ID

M. W.

316.1798

CAS

Similarity

N/A

ID: 800810

tert-butyl 4-oxo-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C14H17NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16853

Database

Data ID

M. W.

247.28968

CAS

179898-00-1

Similarity

N/A

ID: 800811

tert-butyl 4-amino-6-cyclohexyl-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C20H30N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16855

Database

Data ID

M. W.

330.4644

CAS

Similarity

N/A

ID: 800812

tert-butyl 6-cyclohexyl-4-oxo-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C20H27NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16856

Database

Data ID

M. W.

329.43328

CAS

Similarity

N/A

ID: 800813

tert-butyl 4-amino-5-methoxy-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C15H22N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16857

Database

Data ID

M. W.

278.34678

CAS

Similarity

N/A

ID: 800814

tert-butyl 5-methoxy-4-oxo-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C15H19NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16858

Database

Data ID

M. W.

277.31566

CAS

Similarity

N/A

ID: 800815

tert-butyl 4-amino-6,7-dimethyl-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C16H24N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16859

Database

Data ID

M. W.

276.37396

CAS

Similarity

N/A

ID: 800816

tert-butyl 6,7-dimethyl-4-oxo-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C16H21NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16860

Database

Data ID

M. W.

275.34284

CAS

Similarity

N/A

ID: 800817

tert-butyl 4-amino-6-tert-butyl-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C18H28N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16861

Database

Data ID

M. W.

304.42712

CAS

Similarity

N/A

ID: 800818

tert-butyl 6-tert-butyl-4-oxo-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C18H25NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16862

Database

Data ID

M. W.

303.396

CAS

Similarity

N/A

ID: 800819

tert-butyl 4-amino-6-(propan-2-yl)-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C17H26N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16863

Database

Data ID

M. W.

290.40054

CAS

Similarity

N/A

ID: 800820

tert-butyl 4-oxo-6-(propan-2-yl)-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C17H23NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16864

Database

Data ID

M. W.

289.36942

CAS

Similarity

N/A

ID: 800821

tert-butyl 4-amino-7-(dimethylamino)-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C16H25N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16865

Database

Data ID

M. W.

291.3886

CAS

Similarity

N/A

ID: 800822

tert-butyl 7-(dimethylamino)-4-oxo-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C16H22N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16866

Database

Data ID

M. W.

290.35748

CAS

Similarity

N/A

ID: 800823

tert-butyl 4-amino-7-fluoro-8-methyl-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C15H21FN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16867

Database

Data ID

M. W.

280.3378432

CAS

Similarity

N/A

ID: 800824

tert-butyl 7-fluoro-8-methyl-4-oxo-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C15H18FNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16868

Database

Data ID

M. W.

279.3067232

CAS

Similarity

N/A

ID: 800825

tert-butyl 4-amino-5-fluoro-8-methyl-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C15H21FN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16869

Database

Data ID

M. W.

280.3378432

CAS

Similarity

N/A

ID: 800826

tert-butyl 5-fluoro-8-methyl-4-oxo-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C15H18FNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16870

Database

Data ID

M. W.

279.3067232

CAS

Similarity

N/A

ID: 800827

tert-butyl 4-amino-7-bromo-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C14H19BrN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16871

Database

Data ID

M. W.

327.21686

CAS

Similarity

N/A

ID: 800828

tert-butyl 7-bromo-4-oxo-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C14H16BrNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16872

Database

Data ID

M. W.

326.18574

CAS

1187927-67-8

Similarity

N/A

ID: 800829

tert-butyl 4-amino-7-fluoro-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C14H19FN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16873

Database

Data ID

M. W.

266.3112632

CAS

Similarity

N/A

ID: 800830

5-fluoro-1,2,3,4-tetrahydroquinolin-4-one

$$$$

M. F.

C9H8FNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16874

Database

Data ID

M. W.

165.1643232

CAS

1095270-78-2

Similarity

N/A

ID: 800831

tert-butyl 7-fluoro-4-oxo-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C14H16FNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16875

Database

Data ID

M. W.

265.2801432

CAS

Similarity

N/A

ID: 800832

tert-butyl 4-amino-7,8-dichloro-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C14H18Cl2N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16876

Database

Data ID

M. W.

317.21092

CAS

Similarity

N/A

ID: 800833

tert-butyl 7,8-dichloro-4-oxo-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C14H15Cl2NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16877

Database

Data ID

M. W.

316.1798

CAS

Similarity

N/A

ID: 800834

N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide

$$$$

M. F.

C10H15N3OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16882

Database

Data ID

M. W.

225.3106

CAS

375824-96-7

Similarity

N/A

ID: 800835

methyl (2S)-3-(benzyloxy)-2-hydroxypropanoate

$$$$

M. F.

C11H14O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16886

Database

Data ID

M. W.

210.22646

CAS

127744-28-9

Similarity

N/A

ID: 800836

tert-butyl N-{[1-(2-aminoethyl)cyclohexyl]methyl}carbamate

$$$$

M. F.

C14H28N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16887

Database

Data ID

M. W.

256.38432

CAS

886362-17-0

Similarity

N/A

ID: 800837

4-carbamimidoylbenzoic acid hydrochloride

$$$$

M. F.

C8H9ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16891

Database

Data ID

M. W.

200.62226

CAS

42823-72-3

Similarity

N/A

ID: 800838

2-({1-[(benzyloxy)carbonyl]piperidin-4-yl}oxy)acetic acid

$$$$

M. F.

C15H19NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16892

Database

Data ID

M. W.

293.31506

CAS

162504-85-0

Similarity

N/A

ID: 800839

2-(5-cyano-1H-indol-1-yl)acetic acid

$$$$

M. F.

C11H8N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16894

Database

Data ID

M. W.

200.19342

CAS

202124-67-2

Similarity

N/A

ID: 800840

5,6-dimethoxy-2,3-dihydro-1H-inden-1-amine

$$$$

M. F.

C11H15NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16899

Database

Data ID

M. W.

193.2423

CAS

91247-06-2

Similarity

N/A

ID: 800841

(3S)-3-(3-methoxyphenyl)piperidine

$$$$

M. F.

C12H17NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16902

Database

Data ID

M. W.

191.26948

CAS

88784-37-6

Similarity

N/A

ID: 800842

3-(4-fluorophenyl)-1-methyl-1H-indole-2-carbaldehyde

$$$$

M. F.

C16H12FNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16904

Database

Data ID

M. W.

253.2709832

CAS

93957-42-7

Similarity

N/A

ID: 800843

3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indole-2-carbaldehyde

$$$$

M. F.

C18H16FNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16905

Database

Data ID

M. W.

281.3241432

CAS

101125-34-2

Similarity

N/A

ID: 800844

furan-2,3-dicarboxylic acid

$$$$

M. F.

C6H4O5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16906

Database

Data ID

M. W.

156.09296

CAS

4282-24-0

Similarity

N/A

ID: 800845

[4-(4-fluorophenyl)piperidin-3-yl]methanol

$$$$

M. F.

C12H16FNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16908

Database

Data ID

M. W.

209.2599432

CAS

188869-26-3

Similarity

N/A

ID: 800846

tert-butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate

$$$$

M. F.

C11H21NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16909

Database

Data ID

M. W.

215.28934

CAS

140695-84-7

Similarity

N/A

ID: 800847

tert-butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate

$$$$

M. F.

C11H21NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16910

Database

Data ID

M. W.

215.28934

CAS

140695-85-8

Similarity

N/A

ID: 800848

tert-butyl N-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}carbamate

$$$$

M. F.

C20H29N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16912

Database

Data ID

M. W.

343.46316

CAS

886362-25-0

Similarity

N/A

ID: 800849

(2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid

$$$$

M. F.

C9H10O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16913

Database

Data ID

M. W.

182.1733

CAS

23508-35-2

Similarity

N/A

ID: 800850

2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]acetic acid

$$$$

M. F.

C6H9NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16914

Database

Data ID

M. W.

159.13996

CAS

99437-11-3

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