Chembase list of 866358 unique molecular structures

4-azatricyclo[5.2.1.0²,⁶]dec-8-ene-3,5-dione

$$$$ Data

M. F.

C9H9NO2

Suppliers	Catalog Number
Bide Pharmatech	BD20462

Database	Data ID
PubChem	97723

M. W.

163.17326

CAS

3647-74-3

Similarity

N/A

ID: 288452

1-methylcyclopentyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

$$$$ Data

M. F.

C14H20O2

Suppliers	Catalog Number
Bide Pharmatech	BD20499
A&J Pharmtech	AJA-O9458

Database	Data ID
PubChem	21960938

M. W.

220.3074

CAS

369648-89-5

Similarity

N/A

ID: 288453

methyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate hydrochloride

$$$$ Data

M. F.

C10H14ClNO3

Suppliers	Catalog Number
Bide Pharmatech	BD20507

Database	Data ID
PubChem	134565

M. W.

231.67606

CAS

3728-20-9

Similarity

N/A

ID: 288454

methyl oxolane-2-carboxylate

$$$$ Data

M. F.

C6H10O3

Suppliers	Catalog Number
Bide Pharmatech	BD20515

Database	Data ID
PubChem	169922

M. W.

130.1418

CAS

37443-42-8

Similarity

N/A

ID: 288455

1-(methoxymethyl)-4-[4-(methoxymethyl)phenyl]benzene

$$$$ Data

M. F.

C16H18O2

Suppliers	Catalog Number
Bide Pharmatech	BD20524
A&J Pharmtech	AJA-O33095

Database	Data ID
PubChem	1519430

M. W.

242.31292

CAS

3753-18-2

Similarity

N/A

ID: 288456

4-bromo-2-nitro-1H-imidazole

$$$$ Data

M. F.

C3H2BrN3O2

Suppliers	Catalog Number
Bide Pharmatech	BD2055
A&J Pharmtech	AJA-O7046

Database	Data ID
PubChem	14358387

M. W.

191.97088

CAS

121816-84-0

Similarity

N/A

ID: 288457

methyl 2-[2-(bromomethyl)phenyl]benzoate

$$$$ Data

M. F.

C15H13BrO2

Suppliers	Catalog Number
Bide Pharmatech	BD20580

Database	Data ID
PubChem	46735172

M. W.

305.16652

CAS

38399-65-4

Similarity

N/A

ID: 288458

ethyl (2S)-2,6-diaminohexanoate hydrochloride

$$$$ Data

M. F.

C8H19ClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD20581

Database	Data ID
PubChem	18600938

M. W.

210.70166

CAS

3844-53-9

Similarity

N/A

ID: 288459

N-[3-(dimethylamino)propyl]prop-2-enamide

$$$$ Data

M. F.

C8H16N2O

Suppliers	Catalog Number
Bide Pharmatech	BD20582

Database	Data ID
PubChem	77452

M. W.

156.22544

CAS

3845-76-9

Similarity

N/A

ID: 288460

2-(2H-1,2,3-benzotriazol-2-yl)-4,6-di-tert-butylphenol

$$$$ Data

M. F.

C20H25N3O

Suppliers	Catalog Number
Bide Pharmatech	BD20583

Database	Data ID
PubChem	77455

M. W.

323.432

CAS

3846-71-7

Similarity

N/A

ID: 288461

(2R,3R,4S,5R)-1,2,4,5-tetrakis(acetyloxy)-6-oxohexan-3-yl acetate

$$$$ Data

M. F.

C16H22O11

Suppliers	Catalog Number
Bide Pharmatech	BD20596

Database	Data ID
PubChem	92972

M. W.

390.33928

CAS

3891-59-6

Similarity

N/A

ID: 288462

5-ethylpyrimidin-2-amine

$$$$ Data

M. F.

C6H9N3

Suppliers	Catalog Number
Bide Pharmatech	BD20607
A&J Pharmtech	AJA-O22174

Database	Data ID
PubChem	23131355

M. W.

123.15576

CAS

39268-71-8

Similarity

N/A

ID: 288463

3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine

$$$$ Data

M. F.

C7H8F3N3

Suppliers	Catalog Number
Bide Pharmatech	BD206175

Database	Data ID
PubChem	45480287

M. W.

191.1537296

CAS

853784-21-1

Similarity

N/A

ID: 288464

1-[2-(2-aminoethoxy)ethoxy]-2-methoxyethane

$$$$ Data

M. F.

C7H17NO3

Suppliers	Catalog Number
Bide Pharmatech	BD206194

Database	Data ID
PubChem	3018531

M. W.

163.21478

CAS

74654-07-2

Similarity

N/A

ID: 288465

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

$$$$ Data

M. F.

C9H7NO3

Suppliers	Catalog Number
Bide Pharmatech	BD206204

Database	Data ID
PubChem	21955476

M. W.

177.15678

CAS

23386-41-6

Similarity

N/A

ID: 288466

2-(morpholin-3-yl)acetic acid hydrochloride

$$$$ Data

M. F.

C6H12ClNO3

Suppliers	Catalog Number
Bide Pharmatech	BD206207

Database	Data ID
PubChem	13099576

M. W.

181.61738

CAS

86967-55-7

Similarity

N/A

ID: 288467

7-bromoquinazolin-4-amine

$$$$ Data

M. F.

C8H6BrN3

Suppliers	Catalog Number
Bide Pharmatech	BD206236
A&J Pharmtech	AJA-O134

Database	Data ID
PubChem	53408477

M. W.

224.05734

CAS

1123169-43-6

Similarity

N/A

ID: 288468

2-{[(benzyloxy)carbonyl](methyl)amino}acetic acid

$$$$ Data

M. F.

C11H13NO4

Suppliers	Catalog Number
Bide Pharmatech	BD20629

Database	Data ID
PubChem	97053

M. W.

223.22522

CAS

39608-31-6

Similarity

N/A

ID: 288469

2-iodo-6-methoxybenzoic acid

$$$$ Data

M. F.

C8H7IO3

Suppliers	Catalog Number
Bide Pharmatech	BD206394

Database	Data ID
PubChem	12168428

M. W.

278.04385

CAS

66195-39-9

Similarity

N/A

ID: 288470

3-amino-5-bromo-1,2-dihydropyridin-2-one

$$$$ Data

M. F.

C5H5BrN2O

Suppliers	Catalog Number
Bide Pharmatech	BD20647

Database	Data ID
PubChem	13434515

M. W.

189.01

CAS

98786-86-8

Similarity

N/A

ID: 288471

3-(bromomethyl)-2-chlorothiophene

$$$$ Data

M. F.

C5H4BrClS

Suppliers	Catalog Number
Bide Pharmatech	BD20655

Database	Data ID
PubChem	10932747

M. W.

211.50726

CAS

40032-81-3

Similarity

N/A

ID: 288472

2-(5-nitropyridin-2-yl)acetic acid

$$$$ Data

M. F.

C7H6N2O4

Suppliers	Catalog Number
Bide Pharmatech	BD207539

Database	Data ID
PubChem	21262717

M. W.

182.13354

CAS

1214328-73-0

Similarity

N/A

ID: 288473

methyl (2R)-2,5-diaminopentanoate dihydrochloride

$$$$ Data

M. F.

C6H16Cl2N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD20667

Database	Data ID
PubChem	16127077

M. W.

219.10944

CAS

40216-82-8

Similarity

N/A

ID: 288474

3-amino-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzamide

$$$$ Data

M. F.

C16H11Cl3N4O2

Suppliers	Catalog Number
Bide Pharmatech	BD20696
A&J Pharmtech	AJA-O11855

Database	Data ID
PubChem	170394

M. W.

397.64314

CAS

40567-18-8

Similarity

N/A

ID: 288475

4,6-dichloro-2-ethoxypyrimidine

$$$$ Data

M. F.

C6H6Cl2N2O

Suppliers	Catalog Number
Bide Pharmatech	BD20707

Database	Data ID
PubChem	9837015

M. W.

193.03064

CAS

40758-65-4

Similarity

N/A

ID: 288476

methyl 4-acetamido-2-methoxybenzoate

$$$$ Data

M. F.

C11H13NO4

Suppliers	Catalog Number
Bide Pharmatech	BD20722

Database	Data ID
PubChem	77720

M. W.

223.22522

CAS

4093-29-2

Similarity

N/A

ID: 288477

hydrogen 1-(2-chlorophenyl)piperazine chloride

$$$$ Data

M. F.

C10H13Cl2N2-

Suppliers	Catalog Number
Bide Pharmatech	BD20734

Database	Data ID
PubChem	50986875

M. W.

232.12962

CAS

41202-32-8

Similarity

N/A

ID: 288478

5-(2-hydroxyethyl)pyridine-2-carboxylic acid

$$$$ Data

M. F.

C8H9NO3

Suppliers	Catalog Number
Bide Pharmatech	BD207383

Database	Data ID
PubChem	71772867

M. W.

167.16196

CAS

98353-08-3

Similarity

N/A

ID: 288479

4-methylbenzene-1-sulfonic acid benzyl 2-aminopropanoate

$$$$ Data

M. F.

C17H21NO5S

Suppliers	Catalog Number
Bide Pharmatech	BD20804

Database	Data ID
PubChem	3084877

M. W.

351.41734

CAS

42854-62-6

Similarity

N/A

ID: 288480

3-bromo-4-(propan-2-yl)benzoic acid

$$$$ Data

M. F.

C10H11BrO2

Suppliers	Catalog Number
Bide Pharmatech	BD208137

Database	Data ID
PubChem	18925780

M. W.

243.09714

CAS

99070-17-4

Similarity

N/A

ID: 288481

2-amino-6-nitrophenol

$$$$ Data

M. F.

C6H6N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD208141
A&J Pharmtech	AJA-O34297

Database	Data ID
PubChem	5127291

M. W.

154.12344

CAS

603-87-2

Similarity

N/A

ID: 288482

(4S)-4-aminooxolan-2-one hydrochloride

$$$$ Data

M. F.

C4H8ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD208147

Database	Data ID
PubChem	51064148

M. W.

137.56482

CAS

117752-82-6

Similarity

N/A

ID: 288483

7-bromo-[1,2,4]triazolo[4,3-a]pyridine

$$$$ Data

M. F.

C6H4BrN3

Suppliers	Catalog Number
Bide Pharmatech	BD208149

Database	Data ID
PubChem	23115966

M. W.

198.02006

CAS

832735-60-1

Similarity

N/A

ID: 288484

2-bromo-5-nitro-1,3,4-thiadiazole

$$$$ Data

M. F.

C2BrN3O2S

Suppliers	Catalog Number
Bide Pharmatech	BD208155

Database	Data ID
PubChem	12207870

M. W.

210.0093

CAS

22758-10-7

Similarity

N/A

ID: 288485

ethyl 2-cyanopyridine-4-carboxylate

$$$$ Data

M. F.

C9H8N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD208159

Database	Data ID
PubChem	13415157

M. W.

176.17202

CAS

58481-14-4

Similarity

N/A

ID: 288486

1-methyl-1H-pyrazol-3-ol

$$$$ Data

M. F.

C4H6N2O

Suppliers	Catalog Number
Bide Pharmatech	BD208178

Database	Data ID
PubChem	11423563

M. W.

98.10324

CAS

Similarity

N/A

ID: 288487

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

$$$$ Data

M. F.

C15H19BN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD208197
A&J Pharmtech	AJA-O6040

Database	Data ID
PubChem	70700444

M. W.

270.13456

CAS

1002334-13-5

Similarity

N/A

ID: 288488

(3R)-3-aminobutan-1-ol

$$$$ Data

M. F.

C4H11NO

Suppliers	Catalog Number
Bide Pharmatech	BD208209

Database	Data ID
PubChem	9898801

M. W.

89.13624

CAS

61477-40-5

Similarity

N/A

ID: 288489

(3S)-3-aminobutan-1-ol

$$$$ Data

M. F.

C4H11NO

Suppliers	Catalog Number
Bide Pharmatech	BD208210

Database	Data ID
PubChem	9942121

M. W.

89.13624

CAS

61477-39-2

Similarity

N/A

ID: 288490

2-(bromomethyl)-1-chloro-3-nitrobenzene

$$$$ Data

M. F.

C7H5BrClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD208217

Database	Data ID
PubChem	91858

M. W.

250.4771

CAS

56433-01-3

Similarity

N/A

ID: 288491

1,2-dihydro-1,5-naphthyridin-2-one

$$$$ Data

M. F.

C8H6N2O

Suppliers	Catalog Number
Bide Pharmatech	BD208229

Database	Data ID
PubChem	589680

M. W.

146.14604

CAS

10261-82-2

Similarity

N/A

ID: 288492

methyl 2-{4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}acetate

$$$$ Data

M. F.

C10H9ClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD208232

Database	Data ID
PubChem	66570685

M. W.

224.64366

CAS

1134327-80-2

Similarity

N/A

ID: 288493

methyl 2-{1H-pyrrolo[2,3-b]pyridin-3-yl}acetate

$$$$ Data

M. F.

C10H10N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD208234

Database	Data ID
PubChem	25067325

M. W.

190.1986

CAS

169030-84-6

Similarity

N/A

ID: 288494

1,3-thiazole-2,4-diamine

$$$$ Data

M. F.

C3H5N3S

Suppliers	Catalog Number
Bide Pharmatech	BD208239
A&J Pharmtech	AJA-O92

Database	Data ID
PubChem	118995

M. W.

115.1569

CAS

67355-26-4

Similarity

N/A

ID: 288495

1-(5-bromo-2-nitrophenyl)ethan-1-one

$$$$ Data

M. F.

C8H6BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD208242

Database	Data ID
PubChem	12224157

M. W.

244.04214

CAS

41877-24-1

Similarity

N/A

ID: 288496

2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C9H8N2O

Suppliers	Catalog Number
Bide Pharmatech	BD208248

Database	Data ID
PubChem	49759028

M. W.

160.17262

CAS

858275-30-6

Similarity

N/A

ID: 288497

3-bromo-6-methoxyquinoline

$$$$ Data

M. F.

C10H8BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD208305
A&J Pharmtech	AJA-O21788

Database	Data ID
PubChem	14758587

M. W.

238.08062

CAS

14036-96-5

Similarity

N/A

ID: 288498

methyl 5-bromo-3-methylbenzoate

$$$$ Data

M. F.

C9H9BrO2

Suppliers	Catalog Number
Bide Pharmatech	BD208315

Database	Data ID
PubChem	22613903

M. W.

229.07056

CAS

478375-40-5

Similarity

N/A

ID: 288499

(2S)-2-amino-5-[3-(4-methylbenzenesulfonyl)carbamimidamido]pentanoic acid

$$$$ Data

M. F.

C13H20N4O4S

Suppliers	Catalog Number
Bide Pharmatech	BD20832

Database	Data ID
PubChem	7408233

M. W.

328.3873

CAS

4353-32-6

Similarity

N/A

ID: 288500

2,4-dichloro-6-nitropyridine

$$$$ Data

M. F.

C5H2Cl2N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD208320
A&J Pharmtech	AJA-O271

Database	Data ID
PubChem	70701203

M. W.

192.98758

CAS

1379337-73-1

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