Chembase list of 866358 unique molecular structures

ID: 291951

$$$$ Data

M. F.

C9H10FN

Suppliers	Catalog Number
Bide Pharmatech	BD238027

Database	Data ID
PubChem	11228897

M. W.

151.1808032

CAS

825-70-7

Similarity

N/A

ID: 291952

2-chloro-[1,3]oxazolo[5,4-c]pyridine

$$$$ Data

M. F.

C6H3ClN2O

Suppliers	Catalog Number
Bide Pharmatech	BD238046

Database	Data ID
PubChem	45925627

M. W.

154.55382

CAS

916792-10-4

Similarity

N/A

ID: 291953

methyl 1,3-oxazole-4-carboxylate

$$$$ Data

M. F.

C5H5NO3

Suppliers	Catalog Number
Bide Pharmatech	BD238073

Database	Data ID
PubChem	22647202

M. W.

127.0981

CAS

170487-38-4

Similarity

N/A

ID: 291954

methyl 4-methyl-1,3-oxazole-5-carboxylate

$$$$ Data

M. F.

C6H7NO3

Suppliers	Catalog Number
Bide Pharmatech	BD238074

Database	Data ID
PubChem	23423055

M. W.

141.12468

CAS

23012-23-9

Similarity

N/A

ID: 291955

6-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C8H5ClN2O

Suppliers	Catalog Number
Bide Pharmatech	BD238219

Database	Data ID
PubChem	24729427

M. W.

180.5911

CAS

1000341-64-9

Similarity

N/A

ID: 291956

methyl 3-nitropyridine-4-carboxylate

$$$$ Data

M. F.

C7H6N2O4

Suppliers	Catalog Number
Bide Pharmatech	BD238220
A&J Pharmtech	AJA-O10086

Database	Data ID
PubChem	643518

M. W.

182.13354

CAS

103698-10-8

Similarity

N/A

ID: 291957

5-methylthiophen-3-amine

$$$$ Data

M. F.

C5H7NS

Suppliers	Catalog Number
Bide Pharmatech	BD238221

Database	Data ID
PubChem	6422232

M. W.

113.18078

CAS

153137-85-0

Similarity

N/A

ID: 291958

3-(nitromethyl)cyclopentan-1-one

$$$$ Data

M. F.

C6H9NO3

Suppliers	Catalog Number
Bide Pharmatech	BD238288

Database	Data ID
PubChem	11958046

M. W.

143.14056

CAS

81266-47-9

Similarity

N/A

ID: 291959

6-chloro-1H-indole-2-carbaldehyde

$$$$ Data

M. F.

C9H6ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD238302

Database	Data ID
PubChem	16115152

M. W.

179.60304

CAS

53590-59-3

Similarity

N/A

ID: 291960

1,2-bis(bromomethyl)-3-nitrobenzene

$$$$ Data

M. F.

C8H7Br2NO2

Suppliers	Catalog Number
Bide Pharmatech	BD238309

Database	Data ID
PubChem	12317751

M. W.

308.95468

CAS

66126-16-7

Similarity

N/A

ID: 291961

1-amino-1,2,3,4-tetrahydronaphthalen-2-ol

$$$$ Data

M. F.

C10H13NO

Suppliers	Catalog Number
Bide Pharmatech	BD238328

Database	Data ID
PubChem	4460187

M. W.

163.21632

CAS

90874-85-4

Similarity

N/A

ID: 291962

ethyl 5-hydroxy-6-iodopyridine-3-carboxylate

$$$$ Data

M. F.

C8H8INO3

Suppliers	Catalog Number
Bide Pharmatech	BD238355

Database	Data ID
PubChem	23264453

M. W.

293.05849

CAS

59288-40-3

Similarity

N/A

ID: 291963

methyl 1,3-benzoxazole-4-carboxylate

$$$$ Data

M. F.

C9H7NO3

Suppliers	Catalog Number
Bide Pharmatech	BD238374

Database	Data ID
PubChem	14616761

M. W.

177.15678

CAS

128156-54-7

Similarity

N/A

ID: 291964

5-bromo-1H-pyrrole-2-carboxamide

$$$$ Data

M. F.

C5H5BrN2O

Suppliers	Catalog Number
Bide Pharmatech	BD238376

Database	Data ID
PubChem	10419997

M. W.

189.01

CAS

17543-94-1

Similarity

N/A

ID: 291965

1-oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

$$$$ Data

M. F.

C9H7NO3

Suppliers	Catalog Number
Bide Pharmatech	BD238377

Database	Data ID
PubChem	12850266

M. W.

177.15678

CAS

23386-40-5

Similarity

N/A

ID: 291966

7-fluoro-1H-indazole-3-carbaldehyde

$$$$ Data

M. F.

C8H5FN2O

Suppliers	Catalog Number
Bide Pharmatech	BD238382

Database	Data ID
PubChem	70700308

M. W.

164.1365032

CAS

900506-29-8

Similarity

N/A

ID: 291967

3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid

$$$$ Data

M. F.

C9H7NO3

Suppliers	Catalog Number
Bide Pharmatech	BD238383

Database	Data ID
PubChem	44579994

M. W.

177.15678

CAS

935269-27-5

Similarity

N/A

ID: 291968

ethyl 3-amino-6-bromo-1-benzofuran-2-carboxylate

$$$$ Data

M. F.

C11H10BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD238388

Database	Data ID
PubChem	57423475

M. W.

284.106

CAS

887250-14-8

Similarity

N/A

ID: 291969

6-chloro-3,4-dihydro-2H-1-benzopyran-3-one

$$$$ Data

M. F.

C9H7ClO2

Suppliers	Catalog Number
Bide Pharmatech	BD238393
A&J Pharmtech	AJA-O19595

Database	Data ID
PubChem	21819637

M. W.

182.60368

CAS

26371-48-2

Similarity

N/A

ID: 291970

ethyl 2,3-dihydro-1H-indole-6-carboxylate

$$$$ Data

M. F.

C11H13NO2

Suppliers	Catalog Number
Bide Pharmatech	BD238459
A&J Pharmtech	AJA-O7106

Database	Data ID
PubChem	34175918

M. W.

191.22642

CAS

350683-40-8

Similarity

N/A

ID: 291971

2-fluoro-N,4-dihydroxybenzene-1-carboximidamide

$$$$ Data

M. F.

C7H7FN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD238480

Database	Data ID
PubChem	6186595

M. W.

170.1410832

CAS

880874-38-4

Similarity

N/A

ID: 291972

4-{[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-4-oxobutanoic acid

$$$$ Data

M. F.

C14H24O4

Suppliers	Catalog Number
Bide Pharmatech	BD238530

Database	Data ID
PubChem	11219061

M. W.

256.33796

CAS

77341-67-4

Similarity

N/A

ID: 291973

5-(4-methoxyphenyl)-1,2-dihydropyridin-2-one

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Bide Pharmatech	BD238548

Database	Data ID
PubChem	20081497

M. W.

201.22124

CAS

53242-51-6

Similarity

N/A

ID: 291974

1-(3-methoxypropyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

$$$$ Data

M. F.

C13H23BN2O3

Suppliers	Catalog Number
Bide Pharmatech	BD238565

Database	Data ID
PubChem	67187423

M. W.

266.14432

CAS

1000801-76-2

Similarity

N/A

ID: 291975

4-(3,4-dichlorophenyl)-4-oxobutanoic acid

$$$$ Data

M. F.

C10H8Cl2O3

Suppliers	Catalog Number
Bide Pharmatech	BD238606
A&J Pharmtech	AJA-O6499

Database	Data ID
PubChem	289763

M. W.

247.07472

CAS

50597-19-8

Similarity

N/A

ID: 291976

ethyl 3-formyl-1H-pyrrole-2-carboxylate

$$$$ Data

M. F.

C8H9NO3

Suppliers	Catalog Number
Bide Pharmatech	BD238619

Database	Data ID
PubChem	12572341

M. W.

167.16196

CAS

36131-43-8

Similarity

N/A

ID: 291977

1,3-benzoxazole-7-carbaldehyde

$$$$ Data

M. F.

C8H5NO2

Suppliers	Catalog Number
Bide Pharmatech	BD238634

Database	Data ID
PubChem	70700309

M. W.

147.1308

CAS

1097180-23-8

Similarity

N/A

ID: 291978

3-(1-cyano-1-methylethyl)benzoic acid

$$$$ Data

M. F.

C11H11NO2

Suppliers	Catalog Number
Bide Pharmatech	BD238656
A&J Pharmtech	AJA-O6572

Database	Data ID
PubChem	57149538

M. W.

189.21054

CAS

872091-00-4

Similarity

N/A

ID: 291979

methyl 6-chloro-3-(trifluoromethyl)pyridine-2-carboxylate

$$$$ Data

M. F.

C8H5ClF3NO2

Suppliers	Catalog Number
Bide Pharmatech	BD238662

Database	Data ID
PubChem	70700297

M. W.

239.5790096

CAS

Similarity

N/A

ID: 291980

2-chloro-3-methylpyridine-4-carboxylic acid

$$$$ Data

M. F.

C7H6ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD238668
A&J Pharmtech	AJA-O17542

Database	Data ID
PubChem	15075721

M. W.

171.58104

CAS

133928-73-1

Similarity

N/A

ID: 291981

1-bromo-4-methoxy-2-methyl-3-nitrobenzene

$$$$ Data

M. F.

C8H8BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD238673

Database	Data ID
PubChem	11357012

M. W.

246.05802

CAS

85598-13-6

Similarity

N/A

ID: 291982

ethyl 4-methyl-1H-indole-2-carboxylate

$$$$ Data

M. F.

C12H13NO2

Suppliers	Catalog Number
Bide Pharmatech	BD238683

Database	Data ID
PubChem	12529972

M. W.

203.23712

CAS

16732-80-2

Similarity

N/A

ID: 291983

tert-butyl (2S)-2-amino-2-cyclohexylacetate hydrochloride

$$$$ Data

M. F.

C12H24ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD238701

Database	Data ID
PubChem	56777185

M. W.

249.77746

CAS

213475-52-6

Similarity

N/A

ID: 291984

4-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine

$$$$ Data

M. F.

C9H15N3O

Suppliers	Catalog Number
Bide Pharmatech	BD238702

Database	Data ID
PubChem	60146076

M. W.

181.2349

CAS

1226148-67-9

Similarity

N/A

ID: 291985

7-chloroimidazo[1,2-a]pyridine-2-carboxylic acid

$$$$ Data

M. F.

C8H5ClN2O2

Suppliers	Catalog Number
Alfa Aesar	H35256
Bide Pharmatech	BD238712

Database	Data ID
PubChem	28875810

M. W.

196.5905

CAS

1020038-42-9

Similarity

N/A

ID: 291986

1,3,5-trichloro-2-fluorobenzene

$$$$ Data

M. F.

C6H2Cl3F

Suppliers	Catalog Number
Bide Pharmatech	BD238744
A&J Pharmtech	AJA-O5915

Database	Data ID
PubChem	142093

M. W.

199.4374832

CAS

36556-33-9

Similarity

N/A

ID: 291987

(3R)-4-amino-3-hydroxybutanoic acid

$$$$ Data

M. F.

C4H9NO3

Suppliers	Catalog Number
Bide Pharmatech	BD2388

Database	Data ID
PubChem	2733883

M. W.

119.11916

CAS

7013-07-2

Similarity

N/A

ID: 291988

4-chloropyridine-3-sulfonamide hydrochloride

$$$$ Data

M. F.

C5H6Cl2N2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD238805

Database	Data ID
PubChem	23117096

M. W.

229.08434

CAS

777854-85-0

Similarity

N/A

ID: 291989

9-benzyl-2,6-dichloro-9H-purine

$$$$ Data

M. F.

C12H8Cl2N4

Suppliers	Catalog Number
Bide Pharmatech	BD238821
A&J Pharmtech	AJA-O7308

Database	Data ID
PubChem	236641

M. W.

279.12472

CAS

79064-26-9

Similarity

N/A

ID: 291990

(2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile

$$$$ Data

M. F.

C14H11NO2

Suppliers	Catalog Number
Bide Pharmatech	BD238842

Database	Data ID
PubChem	9837437

M. W.

225.24264

CAS

61826-76-4

Similarity

N/A

ID: 291991

(2R)-2-hydroxy-2-phenylacetohydrazide

$$$$ Data

M. F.

C8H10N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD238844

Database	Data ID
PubChem	716867

M. W.

166.1772

CAS

84049-61-6

Similarity

N/A

ID: 291992

tetraphenylphosphanium benzenolate

$$$$ Data

M. F.

C30H25OP

Suppliers	Catalog Number
Bide Pharmatech	BD238895

Database	Data ID
PubChem	11122906

M. W.

432.492661

CAS

15464-47-8

Similarity

N/A

ID: 291993

3-bromo-4-nitropyridine hydrochloride

$$$$ Data

M. F.

C5H4BrClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD239503

Database	Data ID
PubChem	70700917

M. W.

239.45446

CAS

Similarity

N/A

ID: 291994

methyl (2S)-3-amino-2-{[(tert-butoxy)carbonyl]amino}propanoate hydrochloride

$$$$ Data

M. F.

C9H19ClN2O4

Suppliers	Catalog Number
Bide Pharmatech	BD239515

Database	Data ID
PubChem	71607207

M. W.

254.71116

CAS

181228-33-1

Similarity

N/A

ID: 291995

tert-butyl 1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate

$$$$ Data

M. F.

C14H21NO3

Suppliers	Catalog Number
Bide Pharmatech	BD239517

Database	Data ID
PubChem	70700303

M. W.

251.32144

CAS

Similarity

N/A

ID: 291996

4-aminoquinazolin-2-ol

$$$$ Data

M. F.

C8H7N3O

Suppliers	Catalog Number
Bide Pharmatech	BD239535

Database	Data ID
PubChem	11958943

M. W.

161.16068

CAS

50440-88-5

Similarity

N/A

ID: 291997

N-(4-bromopyridin-2-yl)acetamide

$$$$ Data

M. F.

C7H7BrN2O

Suppliers	Catalog Number
Bide Pharmatech	BD239575

Database	Data ID
PubChem	59529635

M. W.

215.04728

CAS

1026796-81-5

Similarity

N/A

ID: 291998

4-bromo-3,5-dichlorobenzoic acid

$$$$ Data

M. F.

C7H3BrCl2O2

Suppliers	Catalog Number
Bide Pharmatech	BD239585

Database	Data ID
PubChem	302949

M. W.

269.90752

CAS

117738-75-7

Similarity

N/A

ID: 291999

3,5-dichloro-4-iodobenzoic acid

$$$$ Data

M. F.

C7H3Cl2IO2

Suppliers	Catalog Number
Bide Pharmatech	BD239586

Database	Data ID
PubChem	19971302

M. W.

316.90799

CAS

117757-68-3

Similarity

N/A

ID: 292000

3,5-dibromo-1-methyl-1,4-dihydropyridin-4-one

$$$$ Data

M. F.

C6H5Br2NO

Suppliers	Catalog Number
Bide Pharmatech	BD239602

Database	Data ID
PubChem	21766055

M. W.

266.918

CAS

2683-35-4

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