Chembase list of 866358 unique molecular structures

$$$$

M. F.

C10H20N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34125

Database

Data ID

M. W.

168.2792

CAS

112906-37-3

Similarity

N/A

ID: 813152

2-(pyrrolidin-2-yl)-1H-indole

$$$$

M. F.

C12H14N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34129

Database

Data ID

M. W.

186.25296

CAS

112565-42-1

Similarity

N/A

ID: 813153

2-(propan-2-yl)piperidine

$$$$

M. F.

C8H17N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34132

Database

Data ID

M. W.

127.22728

CAS

22977-56-6

Similarity

N/A

ID: 813154

2-[(4-methoxyphenyl)methyl]piperidine

$$$$

M. F.

C13H19NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34133

Database

Data ID

M. W.

205.29606

CAS

63587-60-0

Similarity

N/A

ID: 813155

2-(4-bromophenyl)piperidine

$$$$

M. F.

C11H14BrN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34134

Database

Data ID

M. W.

240.13956

CAS

383128-14-1

Similarity

N/A

ID: 813156

3-(piperidin-2-yl)-1H-indole

$$$$

M. F.

C13H16N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34135

Database

Data ID

M. W.

200.27954

CAS

4695-73-2

Similarity

N/A

ID: 813157

2-[(3,4-dimethoxyphenyl)methyl]piperidine

$$$$

M. F.

C14H21NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34136

Database

Data ID

M. W.

235.32204

CAS

102458-70-8

Similarity

N/A

ID: 813158

2-[(2-methoxyphenyl)methyl]piperidine

$$$$

M. F.

C13H19NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34138

Database

Data ID

M. W.

205.29606

CAS

383128-44-7

Similarity

N/A

ID: 813159

2-[(3-methoxyphenyl)methyl]piperidine

$$$$

M. F.

C13H19NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34139

Database

Data ID

M. W.

205.29606

CAS

108958-36-7

Similarity

N/A

ID: 813160

2-[(3-methylphenyl)methyl]piperidine

$$$$

M. F.

C13H19N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34140

Database

Data ID

M. W.

189.29666

CAS

383128-55-0

Similarity

N/A

ID: 813161

2-[(4-methylphenyl)methyl]piperidine

$$$$

M. F.

C13H19N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34141

Database

Data ID

M. W.

189.29666

CAS

63587-56-4

Similarity

N/A

ID: 813162

2-[(4-ethoxyphenyl)methyl]piperidine

$$$$

M. F.

C14H21NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34142

Database

Data ID

M. W.

219.32264

CAS

383128-59-4

Similarity

N/A

ID: 813163

3-(3-iodophenyl)-1H-pyrazol-5-amine

$$$$

M. F.

C9H8IN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34148

Database

Data ID

M. W.

285.08439

CAS

502132-87-8

Similarity

N/A

ID: 813164

1-(4-nitrophenoxy)propan-2-one

$$$$

M. F.

C9H9NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34151

Database

Data ID

M. W.

195.17206

CAS

6698-72-2

Similarity

N/A

ID: 813165

7-methoxy-1H-indole-3-carbaldehyde

$$$$

M. F.

C10H9NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34152

Database

Data ID

M. W.

175.18396

CAS

109021-59-2

Similarity

N/A

ID: 813166

1-[(tert-butoxy)carbonyl]-4-{[(tert-butoxy)carbonyl]amino}piperidine-4-carboxyli...

$$$$

M. F.

C16H28N2O6

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34199

Database

Data ID

M. W.

344.40332

CAS

189321-65-1

Similarity

N/A

ID: 813167

(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(piperidin-4-yl)propanoic acid

$$$$

M. F.

C13H24N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34201

Database

Data ID

M. W.

272.34066

CAS

1021943-61-2

Similarity

N/A

ID: 813168

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(piperidin-4-yl)propanoic a...

$$$$

M. F.

C23H26N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34202

Database

Data ID

M. W.

394.46354

CAS

Similarity

N/A

ID: 813169

1-[(tert-butoxy)carbonyl]-3-{[(tert-butoxy)carbonyl]amino}piperidine-3-carboxyli...

$$$$

M. F.

C16H28N2O6

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34203 AJA-O34204

Database

Data ID

M. W.

344.40332

CAS

368866-18-6

Similarity

N/A

ID: 813170

1-[(tert-butoxy)carbonyl]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)piperidin...

$$$$

M. F.

C26H30N2O6

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34205

Database

Data ID

M. W.

466.5262

CAS

368866-21-1

Similarity

N/A

ID: 813171

2-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-2-({[(9H-fluoren-9-yl)methoxy]carbon...

$$$$

M. F.

C27H32N2O6

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34206

Database

Data ID

M. W.

480.55278

CAS

Similarity

N/A

ID: 813172

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(piperidin-3-yl)propanoic acid

$$$$

M. F.

C23H26N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34208

Database

Data ID

M. W.

394.46354

CAS

Similarity

N/A

ID: 813173

(2S)-3-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-2-({[(9H-fluoren-9-yl)methoxy]c...

$$$$

M. F.

C28H34N2O6

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34209

Database

Data ID

M. W.

494.57936

CAS

457060-97-8

Similarity

N/A

ID: 813174

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

$$$$

M. F.

C22H23NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34212

Database

Data ID

M. W.

381.42172

CAS

553643-51-9

Similarity

N/A

ID: 813175

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(oxan-4-yl)propanoic acid

$$$$

M. F.

C23H25NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34214

Database

Data ID

M. W.

395.4483

CAS

494210-66-1

Similarity

N/A

ID: 813176

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

$$$$

M. F.

C22H23NO4S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34217

Database

Data ID

M. W.

397.48732

CAS

443991-25-1

Similarity

N/A

ID: 813177

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(thian-4-yl)propanoic acid

$$$$

M. F.

C23H25NO4S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34219

Database

Data ID

M. W.

411.5139

CAS

Similarity

N/A

ID: 813178

2-(1,1-dioxo-1λ⁶-thian-4-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}...

$$$$

M. F.

C22H23NO6S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34222

Database

Data ID

M. W.

429.48612

CAS

369402-98-2

Similarity

N/A

ID: 813179

2-{[(tert-butoxy)carbonyl]amino}-3-(1,1-dioxo-1λ⁶-thian-4-yl)propano...

$$$$

M. F.

C13H23NO6S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34223

Database

Data ID

M. W.

321.38982

CAS

494210-69-4

Similarity

N/A

ID: 813180

4-(tert-butoxy)-1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohexane-1-carbo...

$$$$

M. F.

C26H31NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34224

Database

Data ID

M. W.

437.52804

CAS

369403-10-1

Similarity

N/A

ID: 813181

1-{[(tert-butoxy)carbonyl]amino}-3-hydroxycyclopentane-1-carboxylic acid

$$$$

M. F.

C11H19NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34225

Database

Data ID

M. W.

245.27226

CAS

369403-15-6

Similarity

N/A

ID: 813182

1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-hydroxycyclopentane-1-carboxylic...

$$$$

M. F.

C21H21NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34226

Database

Data ID

M. W.

367.39514

CAS

369403-17-8

Similarity

N/A

ID: 813183

3-(tert-butoxy)-1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentane-1-carb...

$$$$

M. F.

C25H29NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34227

Database

Data ID

M. W.

423.50146

CAS

369403-19-0

Similarity

N/A

ID: 813184

8-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1,4-dioxaspiro[4.5]decane-8-carbox...

$$$$

M. F.

C24H25NO6

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34228

Database

Data ID

M. W.

423.4584

CAS

369403-24-7

Similarity

N/A

ID: 813185

1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-oxocyclohexane-1-carboxylic acid

$$$$

M. F.

C22H21NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34229

Database

Data ID

M. W.

379.40584

CAS

285996-74-9

Similarity

N/A

ID: 813186

1-{[(tert-butoxy)carbonyl]amino}cyclopent-3-ene-1-carboxylic acid

$$$$

M. F.

C11H17NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34230

Database

Data ID

M. W.

227.25698

CAS

213316-20-2

Similarity

N/A

ID: 813187

2-{[(tert-butoxy)carbonyl]amino}-2-(3,5-dichlorophenyl)acetic acid

$$$$

M. F.

C13H15Cl2NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34231

Database

Data ID

M. W.

320.1685

CAS

Similarity

N/A

ID: 813188

2-(3,5-dichlorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetic acid

$$$$

M. F.

C23H17Cl2NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34232

Database

Data ID

M. W.

442.29138

CAS

Similarity

N/A

ID: 813189

2-amino-2-(2-phenylphenyl)acetic acid

$$$$

M. F.

C14H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34233

Database

Data ID

M. W.

227.25852

CAS

Similarity

N/A

ID: 813190

2-amino-2-(pyridin-3-yl)acetic acid hydrochloride

$$$$

M. F.

C7H9ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34234

Database

Data ID

M. W.

188.61156

CAS

891789-91-6

Similarity

N/A

ID: 813191

2-amino-2-(thiophen-3-yl)acetic acid hydrochloride

$$$$

M. F.

C6H8ClNO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34235

Database

Data ID

M. W.

193.65122

CAS

369403-64-5

Similarity

N/A

ID: 813192

2-{[(tert-butoxy)carbonyl]amino}-2-(thiophen-3-yl)acetic acid

$$$$

M. F.

C11H15NO4S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34236

Database

Data ID

M. W.

257.3061

CAS

40512-57-0

Similarity

N/A

ID: 813193

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(thiophen-3-yl)acetic acid

$$$$

M. F.

C21H17NO4S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34237

Database

Data ID

M. W.

379.42898

CAS

372143-96-9

Similarity

N/A

ID: 813194

2-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid hydrochloride

$$$$

M. F.

C11H14ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34238

Database

Data ID

M. W.

227.68736

CAS

372143-98-1

Similarity

N/A

ID: 813195

2-amino-2-(3,5-dichlorophenyl)ethan-1-ol

$$$$

M. F.

C8H9Cl2NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34239

Database

Data ID

M. W.

206.06916

CAS

372144-00-8

Similarity

N/A

ID: 813196

3-{[(tert-butoxy)carbonyl]amino}-3-[4-(tert-butoxy)phenyl]propanoic acid

$$$$

M. F.

C18H27NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34241

Database

Data ID

M. W.

337.41068

CAS

Similarity

N/A

ID: 813197

3-aminopyridine-4-carbaldehyde hydrochloride

$$$$

M. F.

C6H7ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34242

Database

Data ID

M. W.

158.58558

CAS

927891-97-2

Similarity

N/A

ID: 813198

[(2R,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-{[(2S,3S,4S,5R)-3-(acetyloxy)-5,6-dihy...

$$$$

M. F.

C36H50O25

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34245

Database

Data ID

M. W.

882.7672

CAS

Similarity

N/A

ID: 813199

rel-(1R,2R)-2-aminocyclopentan-1-ol hydrochloride

$$$$

M. F.

C5H12ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34248

Database

Data ID

M. W.

137.60788

CAS

31775-67-4

Similarity

N/A

ID: 813200

3-hydroxy-1H-indole-2-carboxylic acid

$$$$

M. F.

C9H7NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O34251

Database

Data ID

M. W.

177.15678

CAS

6245-93-8

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