Chembase list of 866358 unique molecular structures

tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate

$$$$

M. F.

C12H21NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14283

Database

Data ID

M. W.

243.29944

CAS

158602-35-8

Similarity

N/A

ID: 799552

methyl azetidine-3-carboxylate

$$$$

M. F.

C5H9NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14284

Database

Data ID

M. W.

115.13046

CAS

343238-58-4

Similarity

N/A

ID: 799553

4-(3-methylazetidin-1-yl)piperidine

$$$$

M. F.

C9H18N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14287

Database

Data ID

M. W.

154.25262

CAS

864494-21-3

Similarity

N/A

ID: 799554

4-(azetidin-1-yl)piperidine

$$$$

M. F.

C8H16N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14288

Database

Data ID

M. W.

140.22604

CAS

686298-29-3

Similarity

N/A

ID: 799555

4-(3-fluoroazetidin-1-yl)piperidine

$$$$

M. F.

C8H15FN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14289

Database

Data ID

M. W.

158.2165032

CAS

1147422-28-3

Similarity

N/A

ID: 799556

3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one

$$$$

M. F.

C11H9F3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14290

Database

Data ID

M. W.

230.1831696

CAS

Similarity

N/A

ID: 799557

(3S)-3-fluoropyrrolidine

$$$$

M. F.

C4H8FN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14293

Database

Data ID

M. W.

89.1114232

CAS

136725-54-7

Similarity

N/A

ID: 799558

(3R)-pyrrolidin-3-ol

$$$$

M. F.

C4H9NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14294

Database

Data ID

M. W.

87.12036

CAS

2799-21-5

Similarity

N/A

ID: 799559

(3R)-3-fluoropyrrolidine

$$$$

M. F.

C4H8FN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14295

Database

Data ID

M. W.

89.1114232

CAS

679431-51-7

Similarity

N/A

ID: 799560

methyl (2S,4S)-4-phenoxypyrrolidine-2-carboxylate

$$$$

M. F.

C12H15NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14298

Database

Data ID

M. W.

221.2524

CAS

113949-37-4

Similarity

N/A

ID: 799561

(2S,4R)-4-(ethoxycarbonyl)pyrrolidine-2-carboxylic acid

$$$$

M. F.

C8H13NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14300

Database

Data ID

M. W.

187.19312

CAS

1260607-37-1

Similarity

N/A

ID: 799562

(2S,4R)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid

$$$$

M. F.

C6H11NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14301

Database

Data ID

M. W.

145.15644

CAS

273221-96-8

Similarity

N/A

ID: 799563

3-(benzenesulfonyl)pyrrolidine

$$$$

M. F.

C10H13NO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14307

Database

Data ID

M. W.

211.28072

CAS

101769-04-4

Similarity

N/A

ID: 799564

tert-butyl 3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate

$$$$

M. F.

C12H19N3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14311

Database

Data ID

M. W.

253.29756

CAS

Similarity

N/A

ID: 799565

diphenyl[(2S)-pyrrolidin-2-yl]methanol

$$$$

M. F.

C17H19NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14312

Database

Data ID

M. W.

253.33886

CAS

112068-01-6

Similarity

N/A

ID: 799566

diphenyl[(2R)-pyrrolidin-2-yl]methanol

$$$$

M. F.

C17H19NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14313

Database

Data ID

M. W.

253.33886

CAS

22348-32-9

Similarity

N/A

ID: 799567

methyl 3-amino-1-benzylpyrrolidine-3-carboxylate

$$$$

M. F.

C13H18N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14315

Database

Data ID

M. W.

234.29422

CAS

145602-88-6

Similarity

N/A

ID: 799568

(9H-fluoren-9-yl)methyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate

$$$$

M. F.

C20H22N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14317

Database

Data ID

M. W.

338.40028

CAS

951625-98-2

Similarity

N/A

ID: 799569

6-chloro-4-iodopyridin-3-amine

$$$$

M. F.

C5H4ClIN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14320

Database

Data ID

M. W.

254.45613

CAS

351227-42-4

Similarity

N/A

ID: 799570

3-chloro-6-[(pyridin-2-yl)methyl]pyridazine

$$$$

M. F.

C10H8ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14321

Database

Data ID

M. W.

205.64362

CAS

78784-70-0

Similarity

N/A

ID: 799571

(3S)-2-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

$$$$

M. F.

C11H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14334

Database

Data ID

M. W.

191.22642

CAS

936213-74-0

Similarity

N/A

ID: 799572

(3R)-2-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

$$$$

M. F.

C11H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14335

Database

Data ID

M. W.

191.22642

CAS

Similarity

N/A

ID: 799573

7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol

$$$$

M. F.

C11H15NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14336

Database

Data ID

M. W.

193.2423

CAS

76419-97-1

Similarity

N/A

ID: 799574

4-[(tert-butoxy)methyl]oxan-4-amine

$$$$

M. F.

C10H21NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14338

Database

Data ID

M. W.

187.27924

CAS

951625-96-0

Similarity

N/A

ID: 799575

4-(tert-butoxy)cyclohexan-1-amine

$$$$

M. F.

C10H21NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14339

Database

Data ID

M. W.

171.27984

CAS

951625-97-1

Similarity

N/A

ID: 799576

3-(tert-butoxy)cyclohexan-1-amine

$$$$

M. F.

C10H21NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14340

Database

Data ID

M. W.

171.27984

CAS

Similarity

N/A

ID: 799577

3-[(methylsulfanyl)methyl]-2-oxa-8-azaspiro[4.5]decane

$$$$

M. F.

C10H19NOS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14341

Database

Data ID

M. W.

201.32896

CAS

Similarity

N/A

ID: 799578

methyl 5-oxo-1-(piperidin-4-yl)pyrrolidine-3-carboxylate

$$$$

M. F.

C11H18N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14342

Database

Data ID

M. W.

226.27222

CAS

Similarity

N/A

ID: 799579

tert-butyl N-methyl-N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate

$$$$

M. F.

C19H31N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14349

Database

Data ID

M. W.

333.46834

CAS

Similarity

N/A

ID: 799580

tert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate

$$$$

M. F.

C19H31N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14350

Database

Data ID

M. W.

333.46834

CAS

Similarity

N/A

ID: 799581

methyl 3-[4-(aminomethyl)phenyl]propanoate

$$$$

M. F.

C11H15NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14351

Database

Data ID

M. W.

193.2423

CAS

100511-78-2

Similarity

N/A

ID: 799582

3-ethyl-5-methylphenol

$$$$

M. F.

C9H12O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14352

Database

Data ID

M. W.

136.19098

CAS

698-71-5

Similarity

N/A

ID: 799583

4-chloro-7-hydroxy-2,3-dihydro-1H-inden-1-one

$$$$

M. F.

C9H7ClO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14353

Database

Data ID

M. W.

182.60368

CAS

81945-10-0

Similarity

N/A

ID: 799584

7-chloro-2,3-dihydro-1H-inden-4-ol

$$$$

M. F.

C9H9ClO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14354

Database

Data ID

M. W.

168.62016

CAS

145-94-8

Similarity

N/A

ID: 799585

2-(4-chlorophenyl)propan-1-amine

$$$$

M. F.

C9H12ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14355

Database

Data ID

M. W.

169.65128

CAS

4806-79-5

Similarity

N/A

ID: 799586

(6-chloro-1H-inden-3-yl)methanamine

$$$$

M. F.

C10H10ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14357

Database

Data ID

M. W.

179.6461

CAS

Similarity

N/A

ID: 799587

(2R)-2-phenylpropanoic acid

$$$$

M. F.

C9H10O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17358 AJA-O14358

Database

Data ID

M. W.

150.1745

CAS

7782-26-5

Similarity

N/A

ID: 799588

2,3-dihydro-1-benzofuran-4-carbaldehyde

$$$$

M. F.

C9H8O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14360

Database

Data ID

M. W.

148.15862

CAS

209256-42-8

Similarity

N/A

ID: 799589

tert-butyl N-({3-[(4-methoxyphenyl)amino]phenyl}methyl)carbamate

$$$$

M. F.

C19H24N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14364

Database

Data ID

M. W.

328.40546

CAS

886362-41-0

Similarity

N/A

ID: 799590

(1r,4r)-4-hydroxy-1-methylbicyclo[2.2.2]octan-2-one

$$$$

M. F.

C9H14O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14366

Database

Data ID

M. W.

154.20626

CAS

Similarity

N/A

ID: 799591

ethyl 6-(pyrrolidin-1-yl)pyridine-3-carboxylate

$$$$

M. F.

C12H16N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14382

Database

Data ID

M. W.

220.26764

CAS

897399-74-5

Similarity

N/A

ID: 799592

N-hydroxy-2,2-dimethyl-2H-chromene-6-carboximidamide

$$$$

M. F.

C12H14N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14389

Database

Data ID

M. W.

218.25176

CAS

283166-41-6

Similarity

N/A

ID: 799593

5-methylpyrazine-2-carboximidamide

$$$$

M. F.

C6H8N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14390 AJA-O14403

Database

Data ID

M. W.

136.15452

CAS

725234-33-3

Similarity

N/A

ID: 799594

4-chloro-6-methylpyridine-3-carbonitrile

$$$$

M. F.

C7H5ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14392

Database

Data ID

M. W.

152.581

CAS

38875-76-2

Similarity

N/A

ID: 799595

4-iodo-6-methylpyridine-3-carbonitrile

$$$$

M. F.

C7H5IN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14393

Database

Data ID

M. W.

244.03247

CAS

1211594-67-0

Similarity

N/A

ID: 799596

6-methyl-1,2-dihydro-2,7-naphthyridin-1-one

$$$$

M. F.

C9H8N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14394

Database

Data ID

M. W.

160.17262

CAS

Similarity

N/A

ID: 799597

3,5-dimethylmorpholine-4-carboximidamide

$$$$

M. F.

C7H15N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14395

Database

Data ID

M. W.

157.2135

CAS

108641-44-7

Similarity

N/A

ID: 799598

3-chlorobenzene-1-carboximidamide

$$$$

M. F.

C7H7ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14396

Database

Data ID

M. W.

154.59688

CAS

25412-62-8

Similarity

N/A

ID: 799599

5-chloro-2-fluorobenzene-1-carboximidamide

$$$$

M. F.

C7H6ClFN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14397

Database

Data ID

M. W.

172.5873432

CAS

674793-32-9

Similarity

N/A

ID: 799600

5-fluoro-2-methylbenzene-1-carboximidamide

$$$$

M. F.

C8H9FN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14400

Database

Data ID

M. W.

152.1688632

CAS

885956-82-1

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