Chembase list of 866358 unique molecular structures

$$$$

M. F.

C8H6BrFO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9882

Database

Data ID

M. W.

217.0350432

CAS

Similarity

N/A

ID: 797852

bis(3-methylthiophen-2-yl)methanone

$$$$

M. F.

C11H10OS2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9883

Database

Data ID

M. W.

222.3265

CAS

30717-55-6

Similarity

N/A

ID: 797853

methyl 3-(2-oxopropyl)benzoate

$$$$

M. F.

C11H12O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9884

Database

Data ID

M. W.

192.21118

CAS

74998-19-9

Similarity

N/A

ID: 797854

2-methylpent-4-en-2-ol

$$$$

M. F.

C6H12O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9885

Database

Data ID

M. W.

100.15888

CAS

624-97-5

Similarity

N/A

ID: 797855

methyl 5-methyl-3-oxohexanoate

$$$$

M. F.

C8H14O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9886

Database

Data ID

M. W.

158.19496

CAS

30414-55-2

Similarity

N/A

ID: 797856

4-(3-methyloxetan-3-yl)benzoic acid

$$$$

M. F.

C11H12O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9888

Database

Data ID

M. W.

192.21118

CAS

Similarity

N/A

ID: 797857

ethyl 2-(4-iodophenyl)acetate

$$$$

M. F.

C10H11IO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9889

Database

Data ID

M. W.

290.09761

CAS

15250-46-1

Similarity

N/A

ID: 797858

1-(2-chloro-4-methoxyphenyl)ethan-1-one

$$$$

M. F.

C9H9ClO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9893

Database

Data ID

M. W.

184.61956

CAS

41068-36-4

Similarity

N/A

ID: 797859

cyclohexane-1,4-dicarbaldehyde

$$$$

M. F.

C8H12O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9896

Database

Data ID

M. W.

140.17968

CAS

33424-83-8

Similarity

N/A

ID: 797860

spiro[2.5]octan-4-one

$$$$

M. F.

C8H12O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9900

Database

Data ID

M. W.

124.18028

CAS

2205-98-3

Similarity

N/A

ID: 797861

1-(3,5-dichlorophenyl)propan-1-one

$$$$

M. F.

C9H8Cl2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9901

Database

Data ID

M. W.

203.06522

CAS

92821-92-6

Similarity

N/A

ID: 797862

ethyl 2-chloro-6-formylbenzoate

$$$$

M. F.

C10H9ClO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9905

Database

Data ID

M. W.

212.62966

CAS

1049677-64-6

Similarity

N/A

ID: 797863

1-(4-aminophenyl)-2-chloroethan-1-one

$$$$

M. F.

C8H8ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9907

Database

Data ID

M. W.

169.60822

CAS

2631-71-2

Similarity

N/A

ID: 797864

2,2,6,6-tetramethyloxan-4-ol

$$$$

M. F.

C9H18O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9909

Database

Data ID

M. W.

158.23802

CAS

20931-50-4

Similarity

N/A

ID: 797865

spiro[2.6]nonan-4-one

$$$$

M. F.

C9H14O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9911

Database

Data ID

M. W.

138.20686

CAS

Similarity

N/A

ID: 797866

octahydropentalene-2,5-dione

$$$$

M. F.

C8H10O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9912

Database

Data ID

M. W.

138.1638

CAS

51716-63-3

Similarity

N/A

ID: 797867

methyl 4-formylfuran-2-carboxylate

$$$$

M. F.

C7H6O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9913

Database

Data ID

M. W.

154.12014

CAS

1170719-56-8

Similarity

N/A

ID: 797868

2-(4-bromophenyl)cyclohexan-1-one

$$$$

M. F.

C12H13BrO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9915

Database

Data ID

M. W.

253.13502

CAS

Similarity

N/A

ID: 797869

(1S)-cyclohex-3-ene-1-carboxylic acid

$$$$

M. F.

C7H10O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9917

Database

Data ID

M. W.

126.1531

CAS

5708-19-0

Similarity

N/A

ID: 797870

4-methoxy-3-oxopentanenitrile

$$$$

M. F.

C6H9NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9918

Database

Data ID

M. W.

127.14116

CAS

1028843-13-1

Similarity

N/A

ID: 797871

1-(2-amino-3-bromophenyl)ethan-1-one

$$$$

M. F.

C8H8BrNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9919

Database

Data ID

M. W.

214.05922

CAS

808760-02-3

Similarity

N/A

ID: 797872

4-bromo-2,3-dihydro-1-benzofuran-3-one

$$$$

M. F.

C8H5BrO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9920

Database

Data ID

M. W.

213.0281

CAS

1020966-78-2

Similarity

N/A

ID: 797873

2-amino-4-methylbenzaldehyde

$$$$

M. F.

C8H9NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9921 AJA-O20270

Database

Data ID

M. W.

135.16316

CAS

84902-24-9

Similarity

N/A

ID: 797874

3-methyl-2-nitrobenzaldehyde

$$$$

M. F.

C8H7NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9922 AJA-O23539

Database

Data ID

M. W.

165.14608

CAS

882772-99-8

Similarity

N/A

ID: 797875

2,2,4,4-tetramethylcyclopentan-1-one

$$$$

M. F.

C9H16O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9923

Database

Data ID

M. W.

140.22274

CAS

4694-11-5

Similarity

N/A

ID: 797876

4-(2-{[(tert-butoxy)carbonyl]amino}-2-iminoethyl)benzoic acid

$$$$

M. F.

C14H18N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9924 AJA-O33634

Database

Data ID

M. W.

278.30372

CAS

885270-04-2

Similarity

N/A

ID: 797877

1H-indole-5-carboximidamide hydrochloride

$$$$

M. F.

C9H10ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9926

Database

Data ID

M. W.

195.6488

CAS

154022-28-3

Similarity

N/A

ID: 797878

naphthalene-1-carboximidamide hydrochloride

$$$$

M. F.

C11H11ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9927

Database

Data ID

M. W.

206.67144

CAS

61416-82-8

Similarity

N/A

ID: 797879

3,4-dimethoxybenzene-1-carboximidamide

$$$$

M. F.

C9H12N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9928

Database

Data ID

M. W.

180.20378

CAS

69783-31-9

Similarity

N/A

ID: 797880

3,5-dimethoxybenzene-1-carboximidamide

$$$$

M. F.

C9H12N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9929

Database

Data ID

M. W.

180.20378

CAS

26130-49-4

Similarity

N/A

ID: 797881

4-(dimethylamino)benzene-1-carboximidamide dihydrochloride

$$$$

M. F.

C9H15Cl2N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9931

Database

Data ID

M. W.

236.1415

CAS

180507-22-6

Similarity

N/A

ID: 797882

2H-1,3-benzodioxole-5-carboximidamide hydrochloride

$$$$

M. F.

C8H9ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9932 AJA-O28875

Database

Data ID

M. W.

200.62226

CAS

80531-15-3

Similarity

N/A

ID: 797883

2,3-dimethoxybenzene-1-carboximidamide hydrochloride

$$$$

M. F.

C9H13ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O33639 AJA-O9933

Database

Data ID

M. W.

216.66472

CAS

144650-01-1

Similarity

N/A

ID: 797884

2-methylbenzene-1-carboximidamide

$$$$

M. F.

C8H10N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9934

Database

Data ID

M. W.

134.1784

CAS

18636-97-0

Similarity

N/A

ID: 797885

3-methylbenzene-1-carboximidamide

$$$$

M. F.

C8H10N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9935

Database

Data ID

M. W.

134.1784

CAS

18465-28-6

Similarity

N/A

ID: 797886

2-chloro-4-methylbenzene-1-carboximidamide hydrochloride

$$$$

M. F.

C8H10Cl2N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O33642 AJA-O9936

Database

Data ID

M. W.

205.0844

CAS

Similarity

N/A

ID: 797887

3,4,5-trimethoxybenzene-1-carboximidamide hydrochloride

$$$$

M. F.

C10H15ClN2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9937

Database

Data ID

M. W.

246.6907

CAS

4156-59-6

Similarity

N/A

ID: 797888

2,4-dimethoxybenzene-1-carboximidamide

$$$$

M. F.

C9H12N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9939

Database

Data ID

M. W.

180.20378

CAS

32048-19-4

Similarity

N/A

ID: 797889

2,6-dimethoxybenzene-1-carboximidamide hydrochloride

$$$$

M. F.

C9H13ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O33651 AJA-O9941

Database

Data ID

M. W.

216.66472

CAS

Similarity

N/A

ID: 797890

3-methoxybenzene-1-carboximidamide

$$$$

M. F.

C8H10N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9942

Database

Data ID

M. W.

150.1778

CAS

25412-66-2

Similarity

N/A

ID: 797891

pentafluorobenzene-1-carboximidamide

$$$$

M. F.

C7H3F5N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9944

Database

Data ID

M. W.

210.104136

CAS

885954-06-3

Similarity

N/A

ID: 797892

6-bromo-1,2,3,4-tetrahydroisoquinoline-1,3-dione

$$$$

M. F.

C9H6BrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9946

Database

Data ID

M. W.

240.05344

CAS

501130-49-0

Similarity

N/A

ID: 797893

4-methyl-1-phenyl-1,2-dihydroquinolin-2-one

$$$$

M. F.

C16H13NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9948

Database

Data ID

M. W.

235.28052

CAS

2540-30-9

Similarity

N/A

ID: 797894

rel-(1r,4r)-4-{[(benzyloxy)carbonyl]amino}cyclohexane-1-carboxylic acid

$$$$

M. F.

C15H19NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9957

Database

Data ID

M. W.

277.31566

CAS

34771-04-5

Similarity

N/A

ID: 797895

(1s,4s)-4-{[(benzyloxy)carbonyl]amino}cyclohexane-1-carboxylic acid

$$$$

M. F.

C15H19NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9958

Database

Data ID

M. W.

277.31566

CAS

67299-52-9

Similarity

N/A

ID: 797896

ethyl 4-aminocyclohexane-1-carboxylate hydrochloride

$$$$

M. F.

C9H18ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9959

Database

Data ID

M. W.

207.69772

CAS

2084-28-8

Similarity

N/A

ID: 797897

methyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate

$$$$

M. F.

C6H7IN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9960

Database

Data ID

M. W.

266.03645

CAS

75092-25-0

Similarity

N/A

ID: 797898

[4-(pyridin-2-yl)phenyl]methanamine

$$$$

M. F.

C12H12N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9969

Database

Data ID

M. W.

184.23708

CAS

294647-97-5

Similarity

N/A

ID: 797899

3-(2-bromophenyl)propan-1-ol

$$$$

M. F.

C9H11BrO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9970

Database

Data ID

M. W.

215.08704

CAS

52221-92-8

Similarity

N/A

ID: 797900

(1S)-1-(4-bromophenyl)ethan-1-amine hydrochloride

$$$$

M. F.

C8H11BrClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9974

Database

Data ID

M. W.

236.53664

CAS

84499-77-4

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