Chembase list of 866358 unique molecular structures

4-chloro-2-methanesulfonyl-5-methylpyrimidine

$$$$ Data

M. F.

C6H7ClN2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD226150

Database	Data ID
PubChem	11275775

M. W.

206.64998

CAS

325780-94-7

Similarity

N/A

ID: 289802

ethyl 2-oxoheptanoate

$$$$ Data

M. F.

C9H16O3

Suppliers	Catalog Number
Bide Pharmatech	BD226151

Database	Data ID
PubChem	11745091

M. W.

172.22154

CAS

13088-50-1

Similarity

N/A

ID: 289803

6-hydroxy-5-methylpyrimidine-4-carboxylic acid

$$$$ Data

M. F.

C6H6N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD226152

Database	Data ID
PubChem	53308488

M. W.

154.12344

CAS

1159010-94-2

Similarity

N/A

ID: 289804

6,7-dimethoxy-1,2-dihydrophthalazin-1-one

$$$$ Data

M. F.

C10H10N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD226154

Database	Data ID
PubChem	12298545

M. W.

206.198

CAS

4821-88-9

Similarity

N/A

ID: 289805

7-nitro-1,3-benzothiazole

$$$$ Data

M. F.

C7H4N2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD226157

Database	Data ID
PubChem	298491

M. W.

180.18386

CAS

2942-05-4

Similarity

N/A

ID: 289806

2-methyl-1,3-benzoxazol-6-ol

$$$$ Data

M. F.

C8H7NO2

Suppliers	Catalog Number
ChemBridge	5195235
Bide Pharmatech	BD226158
A&J Pharmtech	AJA-O12964 AJA-O11238

Database	Data ID
PubChem	676504

M. W.

149.14668

CAS

1160932

Similarity

N/A

ID: 289807

ethyl 1,3-benzothiazole-5-carboxylate

$$$$ Data

M. F.

C10H9NO2S

Suppliers	Catalog Number
Bide Pharmatech	BD226159

Database	Data ID
PubChem	10608408

M. W.

207.24896

CAS

103261-70-7

Similarity

N/A

ID: 289808

4-chloropyridazin-3-ol

$$$$ Data

M. F.

C4H3ClN2O

Suppliers	Catalog Number
Bide Pharmatech	BD226161

Database	Data ID
PubChem	17995097

M. W.

130.53242

CAS

1677-79-8

Similarity

N/A

ID: 289809

4-amino-1-phenyl-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C10H9N3O2

Suppliers	Catalog Number
Bide Pharmatech	BD226163

Database	Data ID
PubChem	12363470

M. W.

203.19736

CAS

64299-26-9

Similarity

N/A

ID: 289810

N-[(4-methoxyphenyl)methyl]-4-nitropyridin-2-amine

$$$$ Data

M. F.

C13H13N3O3

Suppliers	Catalog Number
Bide Pharmatech	BD226164

Database	Data ID
PubChem	58902405

M. W.

259.26062

CAS

942076-74-6

Similarity

N/A

ID: 289811

2,6-dimethyl-1,3-benzothiazol-5-amine

$$$$ Data

M. F.

C9H10N2S

Suppliers	Catalog Number
Bide Pharmatech	BD226165

Database	Data ID
PubChem	46912036

M. W.

178.2541

CAS

98953-72-1

Similarity

N/A

ID: 289812

5-nitro-1,2,3,4-tetrahydronaphthalen-1-one

$$$$ Data

M. F.

C10H9NO3

Suppliers	Catalog Number
Bide Pharmatech	BD226166

Database	Data ID
PubChem	10261946

M. W.

191.18336

CAS

51114-73-9

Similarity

N/A

ID: 289813

4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazine-2-carboxamide

$$$$ Data

M. F.

C4H4N4O3

Suppliers	Catalog Number
Bide Pharmatech	BD226168

Database	Data ID
PubChem	188244

M. W.

156.09956

CAS

69391-08-8

Similarity

N/A

ID: 289814

1-cyclohexyl-1H-pyrrole

$$$$ Data

M. F.

C10H15N

Suppliers	Catalog Number
Bide Pharmatech	BD226169

Database	Data ID
PubChem	13899605

M. W.

149.2328

CAS

31708-14-2

Similarity

N/A

ID: 289815

1,2-bis(bromomethyl)naphthalene

$$$$ Data

M. F.

C12H10Br2

Suppliers	Catalog Number
Bide Pharmatech	BD226170

Database	Data ID
PubChem	3403551

M. W.

314.0158

CAS

59882-98-3

Similarity

N/A

ID: 289816

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

$$$$ Data

M. F.

C10H13NO

Suppliers	Catalog Number
Bide Pharmatech	BD226172

Database	Data ID
PubChem	26458

M. W.

163.21632

CAS

14097-39-3

Similarity

N/A

ID: 289817

6-methoxyisoquinolin-1-amine

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Bide Pharmatech	BD226175
A&J Pharmtech	AJA-O36258

Database	Data ID
PubChem	15538409

M. W.

174.1992

CAS

266690-48-6

Similarity

N/A

ID: 289818

1-(5-methylpyrimidin-4-yl)ethan-1-one

$$$$ Data

M. F.

C7H8N2O

Suppliers	Catalog Number
Bide Pharmatech	BD226452

Database	Data ID
PubChem	70700311

M. W.

136.15122

CAS

932738-65-3

Similarity

N/A

ID: 289819

piperidin-3-ylmethanol hydrochloride

$$$$ Data

M. F.

C6H14ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD226473

Database	Data ID
PubChem	18614345

M. W.

151.63446

CAS

400771-49-5

Similarity

N/A

ID: 289820

(3-amino-5,6-dichloropyrazin-2-yl)methanol

$$$$ Data

M. F.

C5H5Cl2N3O

Suppliers	Catalog Number
Bide Pharmatech	BD226493

Database	Data ID
PubChem	13367870

M. W.

194.0187

CAS

95037-20-0

Similarity

N/A

ID: 289821

methyl 2-(5-bromopyridin-3-yl)acetate

$$$$ Data

M. F.

C8H8BrNO2

Suppliers	Catalog Number
Bide Pharmatech	BD226496

Database	Data ID
PubChem	23398394

M. W.

230.05862

CAS

118650-08-1

Similarity

N/A

ID: 289822

(1E,4E)-1,5-bis(4-methylphenyl)penta-1,4-dien-3-one

$$$$ Data

M. F.

C19H18O

Suppliers	Catalog Number
Bide Pharmatech	BD226520

Database	Data ID
PubChem	6034054

M. W.

262.34562

CAS

621-98-7

Similarity

N/A

ID: 289823

10-(oxiran-2-ylmethyl)-9,10-dihydroacridin-9-one

$$$$ Data

M. F.

C16H13NO2

Suppliers	Catalog Number
Bide Pharmatech	BD226208

Database	Data ID
PubChem	10060703

M. W.

251.27992

CAS

150389-84-7

Similarity

N/A

ID: 289824

2-(2,3-dihydro-1H-indol-3-yl)ethan-1-amine

$$$$ Data

M. F.

C10H14N2

Suppliers	Catalog Number
Bide Pharmatech	BD226239

Database	Data ID
PubChem	12655251

M. W.

162.23156

CAS

13078-91-6

Similarity

N/A

ID: 289825

oxalic acid tert-butyl N-(azetidin-3-ylmethyl)carbamate

$$$$ Data

M. F.

C11H20N2O6

Suppliers	Catalog Number
Bide Pharmatech	BD226264

Database	Data ID
PubChem	66570705

M. W.

276.2863

CAS

1187929-81-2

Similarity

N/A

ID: 289826

(R)-cyclopropyl(phenyl)methanamine

$$$$ Data

M. F.

C10H13N

Suppliers	Catalog Number
Bide Pharmatech	BD226273

Database	Data ID
PubChem	7048376

M. W.

147.21692

CAS

434307-26-3

Similarity

N/A

ID: 289827

1H-pyrazol-4-ol

$$$$ Data

M. F.

C3H4N2O

Suppliers	Catalog Number
ChemBridge	4037184
Bide Pharmatech	BD226324

Database	Data ID
PubChem	119218

M. W.

84.07666

CAS

4843-98-5

Similarity

N/A

ID: 289828

(1R)-1-(4-fluoro-3-methoxyphenyl)ethan-1-amine

$$$$ Data

M. F.

C9H12FNO

Suppliers	Catalog Number
Bide Pharmatech	BD226333

Database	Data ID
PubChem	45072123

M. W.

169.1960832

CAS

1157581-09-3

Similarity

N/A

ID: 289829

(1S)-1-(4-fluorophenyl)butan-1-amine

$$$$ Data

M. F.

C10H14FN

Suppliers	Catalog Number
Bide Pharmatech	BD226335

Database	Data ID
PubChem	28165474

M. W.

167.2232632

CAS

321840-52-2

Similarity

N/A

ID: 289830

(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxy-2,6-dimethylphenyl)propanoic ...

$$$$ Data

M. F.

C16H23NO5

Suppliers	Catalog Number
Bide Pharmatech	BD226354

Database	Data ID
PubChem	13656657

M. W.

309.35752

CAS

99953-00-1

Similarity

N/A

ID: 289831

3-chloro-6-(propan-2-yl)pyridazine

$$$$ Data

M. F.

C7H9ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD226358

Database	Data ID
PubChem	17804555

M. W.

156.61276

CAS

570416-35-2

Similarity

N/A

ID: 289832

[1-(2-methylpropyl)-1H-pyrazol-4-yl]boronic acid

$$$$ Data

M. F.

C7H13BN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD226366

Database	Data ID
PubChem	45158883

M. W.

168.00132

CAS

929094-25-7

Similarity

N/A

ID: 289833

(1H-1,3-benzodiazol-5-yl)boronic acid

$$$$ Data

M. F.

C7H7BN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD226392

Database	Data ID
PubChem	17981796

M. W.

161.95368

CAS

1228183-22-9

Similarity

N/A

ID: 289834

ethyl 5-bromoimidazo[1,2-a]pyrazine-2-carboxylate

$$$$ Data

M. F.

C9H8BrN3O2

Suppliers	Catalog Number
Bide Pharmatech	BD226394

Database	Data ID
PubChem	24212954

M. W.

270.08272

CAS

87597-27-1

Similarity

N/A

ID: 289835

3,8-diazabicyclo[3.2.1]octane dihydrochloride

$$$$ Data

M. F.

C6H14Cl2N2

Suppliers	Catalog Number
Bide Pharmatech	BD226413

Database	Data ID
PubChem	22647870

M. W.

185.09476

CAS

90673-35-1

Similarity

N/A

ID: 289836

3-aminofuran-2-carboxylic acid

$$$$ Data

M. F.

C5H5NO3

Suppliers	Catalog Number
Bide Pharmatech	BD226439

Database	Data ID
PubChem	18322382

M. W.

127.0981

CAS

1260849-97-5

Similarity

N/A

ID: 289837

1-(2-chloro-5-methylpyrimidin-4-yl)ethan-1-one

$$$$ Data

M. F.

C7H7ClN2O

Suppliers	Catalog Number
Bide Pharmatech	BD226451

Database	Data ID
PubChem	66570663

M. W.

170.59628

CAS

1416351-95-5

Similarity

N/A

ID: 289838

6-chloropyridine-3-carboximidamide

$$$$ Data

M. F.

C6H6ClN3

Suppliers	Catalog Number
Bide Pharmatech	BD226524

Database	Data ID
PubChem	20819236

M. W.

155.58494

CAS

201937-26-0

Similarity

N/A

ID: 289839

6-chloropyridine-3-carboximidamide dihydrochloride

$$$$ Data

M. F.

C6H8Cl3N3

Suppliers	Catalog Number
Bide Pharmatech	BD226525

Database	Data ID
PubChem	42614708

M. W.

228.50682

CAS

1198283-62-3

Similarity

N/A

ID: 289840

4,10-dithiatricyclo[7.3.0.0³,⁷]dodeca-1(9),3(7),5,11-tetra...

$$$$ Data

M. F.

C10H4O2S2

Suppliers	Catalog Number
Bide Pharmatech	BD226528

Database	Data ID
PubChem	288478

M. W.

220.26756

CAS

32281-36-0

Similarity

N/A

ID: 289841

2-chloro-4,6-dimethoxypyridine

$$$$ Data

M. F.

C7H8ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD226531

Database	Data ID
PubChem	10888404

M. W.

173.59692

CAS

108279-89-6

Similarity

N/A

ID: 289842

4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline

$$$$ Data

M. F.

C13H18F3N3

Suppliers	Catalog Number
Bide Pharmatech	BD226534

Database	Data ID
PubChem	46838908

M. W.

273.2973296

CAS

694499-26-8

Similarity

N/A

ID: 289843

2-N,6-dimethylpyridine-2,3-diamine

$$$$ Data

M. F.

C7H11N3

Suppliers	Catalog Number
Bide Pharmatech	BD226535

Database	Data ID
PubChem	22036951

M. W.

137.18234

CAS

155790-09-3

Similarity

N/A

ID: 289844

3-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}benzoic acid

$$$$ Data

M. F.

C17H23NO4

Suppliers	Catalog Number
Bide Pharmatech	BD226536
A&J Pharmtech	AJA-O5795

Database	Data ID
PubChem	45073791

M. W.

305.36882

CAS

828243-30-7

Similarity

N/A

ID: 289845

tert-butyl N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamat...

$$$$ Data

M. F.

C17H30BNO4

Suppliers	Catalog Number
Bide Pharmatech	BD226537
A&J Pharmtech	AJA-O19399

Database	Data ID
PubChem	66570714

M. W.

323.2354

CAS

1251732-64-5

Similarity

N/A

ID: 289846

4-bromo-2-fluoro-5-nitrophenol

$$$$ Data

M. F.

C6H3BrFNO3

Suppliers	Catalog Number
Bide Pharmatech	BD226539
A&J Pharmtech	AJA-O7352

Database	Data ID
PubChem	17976316

M. W.

235.9953232

CAS

661463-12-3

Similarity

N/A

ID: 289847

1-bromo-5-fluoro-4-methoxy-2-nitrobenzene

$$$$ Data

M. F.

C7H5BrFNO3

Suppliers	Catalog Number
Bide Pharmatech	BD226540

Database	Data ID
PubChem	17976310

M. W.

250.0219032

CAS

661463-13-4

Similarity

N/A

ID: 289848

5-bromo-4-hydroxypyridine-3-carboxylic acid

$$$$ Data

M. F.

C6H4BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD226541

Database	Data ID
PubChem	60204208

M. W.

218.00486

CAS

1052114-83-6

Similarity

N/A

ID: 289849

ethyl 4-carbamimidoylpiperazine-1-carboxylate

$$$$ Data

M. F.

C8H16N4O2

Suppliers	Catalog Number
Bide Pharmatech	BD226542

Database	Data ID
PubChem	116091

M. W.

200.23824

CAS

63981-39-5

Similarity

N/A

ID: 289850

methyl 2,4-dihydroxy-5-nitrobenzoate

$$$$ Data

M. F.

C8H7NO6

Suppliers	Catalog Number
Bide Pharmatech	BD226543

Database	Data ID
PubChem	11715465

M. W.

213.14428

CAS

271261-71-3

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