Chembase list of 866358 unique molecular structures

tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate

$$$$

M. F.

C17H26N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31234

Database

Data ID

M. W.

306.39994

CAS

Similarity

N/A

ID: 811802

tert-butyl 2-({[(benzyloxy)carbonyl]amino}methyl)morpholine-4-carboxylate

$$$$

M. F.

C18H26N2O5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31235

Database

Data ID

M. W.

350.40944

CAS

Similarity

N/A

ID: 811803

1,1-diethyl 3-(benzyloxy)cyclopentane-1,1-dicarboxylate

$$$$

M. F.

C18H24O5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31236

Database

Data ID

M. W.

320.38016

CAS

191110-64-2

Similarity

N/A

ID: 811804

3-(tert-butoxy)-1-(ethoxycarbonyl)cyclopentane-1-carboxylic acid

$$$$

M. F.

C13H22O5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31239

Database

Data ID

M. W.

258.31078

CAS

Similarity

N/A

ID: 811805

tert-butyl 3-(3-ethoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate

$$$$

M. F.

C14H23NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31240

Database

Data ID

M. W.

285.33612

CAS

889955-52-6

Similarity

N/A

ID: 811806

ethyl 3-cyclopentyl-3-oxopropanoate

$$$$

M. F.

C10H16O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31241

Database

Data ID

M. W.

184.23224

CAS

24922-00-7

Similarity

N/A

ID: 811807

ethyl 3-cyclobutyl-3-oxopropanoate

$$$$

M. F.

C9H14O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31242

Database

Data ID

M. W.

170.20566

CAS

24922-01-8

Similarity

N/A

ID: 811808

2-chloro-5-(trifluoromethyl)pyridine-4-carbaldehyde

$$$$

M. F.

C7H3ClF3NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31244

Database

Data ID

M. W.

209.5530296

CAS

505084-57-1

Similarity

N/A

ID: 811809

2-chloro-6-methylpyridine-4-carbaldehyde

$$$$

M. F.

C7H6ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31245

Database

Data ID

M. W.

155.58164

CAS

479613-16-6

Similarity

N/A

ID: 811810

2-(trifluoromethyl)pyridine-4-carbaldehyde

$$$$

M. F.

C7H4F3NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31249

Database

Data ID

M. W.

175.1079696

CAS

108338-20-1

Similarity

N/A

ID: 811811

2,6-dimethylpyridine-4-carbaldehyde

$$$$

M. F.

C8H9NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31253

Database

Data ID

M. W.

135.16316

CAS

18206-06-9

Similarity

N/A

ID: 811812

3-(2-oxoacetyl)benzonitrile

$$$$

M. F.

C9H5NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31255

Database

Data ID

M. W.

159.1415

CAS

105802-54-8

Similarity

N/A

ID: 811813

2-(2,3,4-trifluorophenyl)acetaldehyde

$$$$

M. F.

C8H5F3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31256

Database

Data ID

M. W.

174.1199096

CAS

887586-11-0

Similarity

N/A

ID: 811814

ethyl (2S)-2-amino-3-(4-hydroxy-2,6-dimethoxyphenyl)propanoate

$$$$

M. F.

C13H19NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31257

Database

Data ID

M. W.

269.29366

CAS

Similarity

N/A

ID: 811815

ethyl (2S)-3-(2-hydroxy-4,5-dimethoxyphenyl)-2-(phenylformamido)propanoate

$$$$

M. F.

C20H23NO6

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31258

Database

Data ID

M. W.

373.39972

CAS

Similarity

N/A

ID: 811816

(2S)-3-(3-hydroxy-4,5-dimethoxyphenyl)-2-(phenylformamido)propanoic acid

$$$$

M. F.

C18H19NO6

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31259

Database

Data ID

M. W.

345.34656

CAS

Similarity

N/A

ID: 811817

(2S)-2-amino-3-(3-hydroxy-4,5-dimethoxyphenyl)propanoic acid

$$$$

M. F.

C11H15NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31260

Database

Data ID

M. W.

241.2405

CAS

Similarity

N/A

ID: 811818

2-amino-N-(benzyloxy)acetamide

$$$$

M. F.

C9H12N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31261

Database

Data ID

M. W.

180.20378

CAS

16975-23-8

Similarity

N/A

ID: 811819

(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-hydroxybutanoic acid

$$$$

M. F.

C19H19NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31262

Database

Data ID

M. W.

341.35786

CAS

461692-98-8

Similarity

N/A

ID: 811820

(2S)-2-amino-5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanoic acid

$$$$

M. F.

C20H22N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31263

Database

Data ID

M. W.

354.39968

CAS

400746-61-4

Similarity

N/A

ID: 811821

1,4-bis(1-chloro-2-methylpropan-2-yl)benzene

$$$$

M. F.

C14H20Cl2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31264

Database

Data ID

M. W.

259.2146

CAS

5340-57-8

Similarity

N/A

ID: 811822

2-(4-methyl-1,3-thiazol-5-yl)acetaldehyde

$$$$

M. F.

C6H7NOS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31265

Database

Data ID

M. W.

141.19088

CAS

18764-34-6

Similarity

N/A

ID: 811823

(2S)-2-dodecanamidopentanedioic acid

$$$$

M. F.

C17H31NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31266

Database

Data ID

M. W.

329.43174

CAS

3397-65-7

Similarity

N/A

ID: 811824

6-methoxy-2-(4-nitrophenyl)-1,3-benzothiazole

$$$$

M. F.

C14H10N2O3S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31267

Database

Data ID

M. W.

286.3058

CAS

43036-14-2

Similarity

N/A

ID: 811825

methyl 2,4-dihydroxycyclohexane-1-carboxylate

$$$$

M. F.

C8H14O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31268

Database

Data ID

M. W.

174.19436

CAS

Similarity

N/A

ID: 811826

2,5-dihydroxycyclohexane-1-carboxylic acid

$$$$

M. F.

C7H12O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31269

Database

Data ID

M. W.

160.16778

CAS

Similarity

N/A

ID: 811827

methyl 3,4-dihydroxycyclohexane-1-carboxylate

$$$$

M. F.

C8H14O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31270

Database

Data ID

M. W.

174.19436

CAS

Similarity

N/A

ID: 811828

methyl 3,5-dihydroxycyclohexane-1-carboxylate

$$$$

M. F.

C8H14O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31271

Database

Data ID

M. W.

174.19436

CAS

Similarity

N/A

ID: 811829

2-methyl-4-(propan-2-yl)-1H-imidazole

$$$$

M. F.

C7H12N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31272

Database

Data ID

M. W.

124.18358

CAS

37455-52-0

Similarity

N/A

ID: 811830

2,4-dimethylbenzene-1,3-diol

$$$$

M. F.

C8H10O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31273

Database

Data ID

M. W.

138.1638

CAS

634-65-1

Similarity

N/A

ID: 811831

2,4-diethylbenzene-1,3-diol

$$$$

M. F.

C10H14O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31274

Database

Data ID

M. W.

166.21696

CAS

52959-33-8

Similarity

N/A

ID: 811832

6,7-dimethyl-1-nitronaphthalene

$$$$

M. F.

C12H11NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31275

Database

Data ID

M. W.

201.22124

CAS

24055-47-8

Similarity

N/A

ID: 811833

2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine

$$$$

M. F.

C10H14N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31276

Database

Data ID

M. W.

162.23156

CAS

107393-73-7

Similarity

N/A

ID: 811834

3-acetyl-7-hydroxy-5-(2-hydroxyethyl)-2H-chromen-2-one

$$$$

M. F.

C13H12O5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31277

Database

Data ID

M. W.

248.23138

CAS

Similarity

N/A

ID: 811835

3-acetyl-7-hydroxy-5-methoxy-2H-chromen-2-one

$$$$

M. F.

C12H10O5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31278

Database

Data ID

M. W.

234.2048

CAS

Similarity

N/A

ID: 811836

3-acetyl-5-({[2-(dimethylamino)ethyl]amino}methyl)-7-hydroxy-2H-chromen-2-one

$$$$

M. F.

C16H20N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31279

Database

Data ID

M. W.

304.341

CAS

Similarity

N/A

ID: 811837

ethyl cyclopent-3-ene-1-carboxylate

$$$$

M. F.

C8H12O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31280

Database

Data ID

M. W.

140.17968

CAS

21622-01-5

Similarity

N/A

ID: 811838

3-hydroxy-2,5-dimethylbenzoic acid

$$$$

M. F.

C9H10O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31281

Database

Data ID

M. W.

166.1739

CAS

27023-06-9

Similarity

N/A

ID: 811839

(2,4-diaminopyrimidin-5-yl)methanol

$$$$

M. F.

C5H8N4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31282

Database

Data ID

M. W.

140.14322

CAS

20781-06-0

Similarity

N/A

ID: 811840

5-(bromomethyl)pyrimidine-2,4-diamine

$$$$

M. F.

C5H7BrN4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31283

Database

Data ID

M. W.

203.03988

CAS

17326-35-1

Similarity

N/A

ID: 811841

1-[(2,4-diaminopyrimidin-5-yl)methyl]pyridin-1-ium hydrobromide bromide

$$$$

M. F.

C10H13Br2N5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31284

Database

Data ID

M. W.

363.05172

CAS

562856-84-2

Similarity

N/A

ID: 811842

5-(aminomethyl)pyrimidine-2,4-diamine

$$$$

M. F.

C5H9N5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31285

Database

Data ID

M. W.

139.15846

CAS

4458-18-8

Similarity

N/A

ID: 811843

ethyl 2-[(4-hydroxyphenyl)sulfanyl]propanoate

$$$$

M. F.

C11H14O3S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31286

Database

Data ID

M. W.

226.29206

CAS

30512-68-6

Similarity

N/A

ID: 811844

N-methyl-9H-xanthen-9-amine

$$$$

M. F.

C14H13NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31287

Database

Data ID

M. W.

211.25912

CAS

100866-28-2

Similarity

N/A

ID: 811845

2-amino-3-methoxypropan-1-ol

$$$$

M. F.

C4H11NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31288

Database

Data ID

M. W.

105.13564

CAS

253443-56-0

Similarity

N/A

ID: 811846

methyl (2S)-2-amino-3-(4-nitrophenyl)propanoate

$$$$

M. F.

C10H12N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31289

Database

Data ID

M. W.

224.21328

CAS

85317-52-8

Similarity

N/A

ID: 811847

4-[2-(piperidin-1-yl)ethoxy]phenol

$$$$

M. F.

C13H19NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31290

Database

Data ID

M. W.

221.29546

CAS

100238-42-4

Similarity

N/A

ID: 811848

1-benzyl-3,4-dimethoxypyrrolidine

$$$$

M. F.

C13H19NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31292

Database

Data ID

M. W.

221.29546

CAS

63126-22-7

Similarity

N/A

ID: 811849

3-chloro-1-(thiophen-2-yl)propan-1-one

$$$$

M. F.

C7H7ClOS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31293

Database

Data ID

M. W.

174.64788

CAS

40570-64-7

Similarity

N/A

ID: 811850

3-(methylamino)-1-(thiophen-2-yl)propan-1-ol

$$$$

M. F.

C8H13NOS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31294

Database

Data ID

M. W.

171.25992

CAS

116539-55-0

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