Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C6H12N2O

Suppliers	Catalog Number
Bide Pharmatech	BD225258

Database	Data ID
PubChem	18985347

M. W.

128.17228

CAS

60565-89-1

Similarity

N/A

ID: 289702

1-[2-(pyrrolidin-1-yl)ethyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

$$$$ Data

M. F.

C15H26BN3O2

Suppliers	Catalog Number
Bide Pharmatech	BD225278

Database	Data ID
PubChem	58885861

M. W.

291.19684

CAS

1000802-52-7

Similarity

N/A

ID: 289703

2,5-dichloro-4-methoxypyridine

$$$$ Data

M. F.

C6H5Cl2NO

Suppliers	Catalog Number
Bide Pharmatech	BD225293
A&J Pharmtech	AJA-O6087

Database	Data ID
PubChem	71463806

M. W.

178.016

CAS

1122090-95-2

Similarity

N/A

ID: 289704

7-amino-1,2,3,4-tetrahydroquinazoline-2,4-dione

$$$$ Data

M. F.

C8H7N3O2

Suppliers	Catalog Number
Bide Pharmatech	BD225302

Database	Data ID
PubChem	401837

M. W.

177.16008

CAS

59674-85-0

Similarity

N/A

ID: 289705

2,5-dichloroquinazolin-4-ol

$$$$ Data

M. F.

C8H4Cl2N2O

Suppliers	Catalog Number
Bide Pharmatech	BD225304

Database	Data ID
PubChem	34181691

M. W.

215.03616

CAS

1107694-73-4

Similarity

N/A

ID: 289706

2-chloro-5-iodoquinazolin-4-amine

$$$$ Data

M. F.

C8H5ClIN3

Suppliers	Catalog Number
Bide Pharmatech	BD225305

Database	Data ID
PubChem	34181593

M. W.

305.50287

CAS

1107694-85-8

Similarity

N/A

ID: 289707

7-fluoro-6-nitro-1,2,3,4-tetrahydroquinazoline-2,4-dione

$$$$ Data

M. F.

C8H4FN3O4

Suppliers	Catalog Number
Bide Pharmatech	BD225306

Database	Data ID
PubChem	34181581

M. W.

225.1334632

CAS

1007308-74-8

Similarity

N/A

ID: 289708

2,4-dichloro-7-fluoro-6-nitroquinazoline

$$$$ Data

M. F.

C8H2Cl2FN3O2

Suppliers	Catalog Number
Bide Pharmatech	BD225307

Database	Data ID
PubChem	34181564

M. W.

262.0247832

CAS

1007308-75-9

Similarity

N/A

ID: 289709

5-amino-1-(oxan-4-yl)-1H-pyrazole-4-carbonitrile

$$$$ Data

M. F.

C9H12N4O

Suppliers	Catalog Number
Bide Pharmatech	BD225309

Database	Data ID
PubChem	42609130

M. W.

192.21778

CAS

1082745-49-0

Similarity

N/A

ID: 289710

5-amino-1-(oxan-4-yl)-1H-pyrazole-4-carboxamide

$$$$ Data

M. F.

C9H14N4O2

Suppliers	Catalog Number
Bide Pharmatech	BD225310

Database	Data ID
PubChem	42609131

M. W.

210.23306

CAS

1082745-50-3

Similarity

N/A

ID: 289711

1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine

$$$$ Data

M. F.

C8H9N3

Suppliers	Catalog Number
Bide Pharmatech	BD225401

Database	Data ID
PubChem	11679841

M. W.

147.17716

CAS

888498-07-5

Similarity

N/A

ID: 289712

methyl 3-cyano-1H-indole-5-carboxylate

$$$$ Data

M. F.

C11H8N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD225402

Database	Data ID
PubChem	19603726

M. W.

200.19342

CAS

194490-33-0

Similarity

N/A

ID: 289713

6-cyano-1H-indole-3-carboxylic acid

$$$$ Data

M. F.

C10H6N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD225405

Database	Data ID
PubChem	10631393

M. W.

186.16684

CAS

174500-88-0

Similarity

N/A

ID: 289714

6-(trifluoromethyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

$$$$ Data

M. F.

C9H5F3N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD225406

Database	Data ID
PubChem	34176116

M. W.

230.1434096

CAS

864291-33-8

Similarity

N/A

ID: 289715

5-cyano-1H-indazole-3-carboxylic acid

$$$$ Data

M. F.

C9H5N3O2

Suppliers	Catalog Number
Bide Pharmatech	BD225407

Database	Data ID
PubChem	24728742

M. W.

187.1549

CAS

885520-03-6

Similarity

N/A

ID: 289716

7-(trifluoromethyl)-1H-indole

$$$$ Data

M. F.

C9H6F3N

Suppliers	Catalog Number
Bide Pharmatech	BD225408

Database	Data ID
PubChem	10419882

M. W.

185.1458496

CAS

172217-02-6

Similarity

N/A

ID: 289717

2-methyl-1,3-benzoxazole-5-carboxylic acid

$$$$ Data

M. F.

C9H7NO3

Suppliers	Catalog Number
Bide Pharmatech	BD225409

Database	Data ID
PubChem	23282284

M. W.

177.15678

CAS

90322-32-0

Similarity

N/A

ID: 289718

4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

$$$$ Data

M. F.

C13H13FN2

Suppliers	Catalog Number
Bide Pharmatech	BD225410

Database	Data ID
PubChem	21268346

M. W.

216.2541232

CAS

185255-80-5

Similarity

N/A

ID: 289719

4-fluoro-3-(piperidin-4-yl)-1H-indole

$$$$ Data

M. F.

C13H15FN2

Suppliers	Catalog Number
Bide Pharmatech	BD225411

Database	Data ID
PubChem	15337634

M. W.

218.2700032

CAS

173150-61-3

Similarity

N/A

ID: 289720

5-(morpholin-4-yl)-2,3-dihydro-1H-indole

$$$$ Data

M. F.

C12H16N2O

Suppliers	Catalog Number
Bide Pharmatech	BD225413

Database	Data ID
PubChem	34176400

M. W.

204.26824

CAS

959238-58-5

Similarity

N/A

ID: 289721

methyl 2-(N-benzylformamido)acetate

$$$$ Data

M. F.

C11H13NO3

Suppliers	Catalog Number
Bide Pharmatech	BD225414

Database	Data ID
PubChem	11095800

M. W.

207.22582

CAS

123017-47-0

Similarity

N/A

ID: 289722

3-(piperidin-4-yl)-5-(trifluoromethoxy)-1H-indole

$$$$ Data

M. F.

C14H15F3N2O

Suppliers	Catalog Number
Bide Pharmatech	BD225415

Database	Data ID
PubChem	22909370

M. W.

284.2769096

CAS

959236-40-9

Similarity

N/A

ID: 289723

5-fluoro-3-(piperidin-4-yl)-1H-indole

$$$$ Data

M. F.

C13H15FN2

Suppliers	Catalog Number
Bide Pharmatech	BD225416

Database	Data ID
PubChem	11769929

M. W.

218.2700032

CAS

149669-43-2

Similarity

N/A

ID: 289724

1-carbamimidoylpiperidine-4-carboxylic acid

$$$$ Data

M. F.

C7H13N3O2

Suppliers	Catalog Number
Bide Pharmatech	BD225417

Database	Data ID
PubChem	5152314

M. W.

171.19702

CAS

135322-16-6

Similarity

N/A

ID: 289725

5-bromo-1,2,3,4-tetrahydroquinazoline-2,4-dione

$$$$ Data

M. F.

C8H5BrN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD225418

Database	Data ID
PubChem	19604232

M. W.

241.0415

CAS

959237-01-5

Similarity

N/A

ID: 289726

2,4-dichloro-5-iodoquinazoline

$$$$ Data

M. F.

C8H3Cl2IN2

Suppliers	Catalog Number
Bide Pharmatech	BD225421
A&J Pharmtech	AJA-O6418

Database	Data ID
PubChem	34176198

M. W.

324.93329

CAS

959237-30-0

Similarity

N/A

ID: 289727

8-fluoro-1,2,3,4-tetrahydroquinazoline-2,4-dione

$$$$ Data

M. F.

C8H5FN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD225422

Database	Data ID
PubChem	10080993

M. W.

180.1359032

CAS

959236-96-5

Similarity

N/A

ID: 289728

5-chloroquinazoline-2,4-diol

$$$$ Data

M. F.

C8H5ClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD225423

Database	Data ID
PubChem	334021

M. W.

196.5905

CAS

78754-81-1

Similarity

N/A

ID: 289729

8-iodoquinazolin-4-ol

$$$$ Data

M. F.

C8H5IN2O

Suppliers	Catalog Number
Bide Pharmatech	BD225424

Database	Data ID
PubChem	12667712

M. W.

272.04257

CAS

77150-36-8

Similarity

N/A

ID: 289730

methyl 4-chloro-6-methylquinoline-2-carboxylate

$$$$ Data

M. F.

C12H10ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD225425

Database	Data ID
PubChem	29923273

M. W.

235.6663

CAS

905807-65-0

Similarity

N/A

ID: 289731

4-chloro-8-iodoquinazoline

$$$$ Data

M. F.

C8H4ClIN2

Suppliers	Catalog Number
Bide Pharmatech	BD225426

Database	Data ID
PubChem	14397531

M. W.

290.48823

CAS

125096-73-3

Similarity

N/A

ID: 289732

8-iodo-1,2,3,4-tetrahydroquinazoline-2,4-dione

$$$$ Data

M. F.

C8H5IN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD225427

Database	Data ID
PubChem	34176109

M. W.

288.04197

CAS

959236-79-4

Similarity

N/A

ID: 289733

1-methylpiperazine-2-carboxylic acid

$$$$ Data

M. F.

C6H12N2O2

Suppliers	Catalog Number
ChemBridge	4142105
Bide Pharmatech	BD225429

Database	Data ID
PubChem	22660596

M. W.

144.17168

CAS

1246609-06-2

Similarity

N/A

ID: 289734

methyl 4-fluoro-2,6-dimethylbenzoate

$$$$ Data

M. F.

C10H11FO2

Suppliers	Catalog Number
Bide Pharmatech	BD225431

Database	Data ID
PubChem	20619434

M. W.

182.1915432

CAS

14659-60-0

Similarity

N/A

ID: 289735

6-phenylquinoline

$$$$ Data

M. F.

C15H11N

Suppliers	Catalog Number
Bide Pharmatech	BD225481

Database	Data ID
PubChem	69168

M. W.

205.25454

CAS

612-95-3

Similarity

N/A

ID: 289736

4-phenylquinoline

$$$$ Data

M. F.

C15H11N

Suppliers	Catalog Number
Bide Pharmatech	BD225482

Database	Data ID
PubChem	521929

M. W.

205.25454

CAS

605-03-8

Similarity

N/A

ID: 289737

[2-(4-chlorophenyl)ethyl](2-chloropropyl)amine hydrochloride

$$$$ Data

M. F.

C11H16Cl3N

Suppliers	Catalog Number
Bide Pharmatech	BD225495

Database	Data ID
PubChem	44222956

M. W.

268.61044

CAS

953789-37-2

Similarity

N/A

ID: 289738

(2S)-2-amino-5-carbamimidamidopentanoic acid; (2S)-2-aminobutanedioic acid

$$$$ Data

M. F.

C10H21N5O6

Suppliers	Catalog Number
Bide Pharmatech	BD22550

Database	Data ID
PubChem	11500504

M. W.

307.30364

CAS

7675-83-4

Similarity

N/A

ID: 289739

1-(3-methoxypyridin-4-yl)ethan-1-one

$$$$ Data

M. F.

C8H9NO2

Suppliers	Catalog Number
Bide Pharmatech	BD225508

Database	Data ID
PubChem	12803987

M. W.

151.16256

CAS

83431-02-1

Similarity

N/A

ID: 289740

tert-butyl 7-chloro-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylat...

$$$$ Data

M. F.

C17H21ClN2O3

Suppliers	Catalog Number
Bide Pharmatech	BD225536

Database	Data ID
PubChem	66570717

M. W.

336.81324

CAS

1260763-61-8

Similarity

N/A

ID: 289741

1-(bromomethyl)-3-chloro-5-nitrobenzene

$$$$ Data

M. F.

C7H5BrClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD225583

Database	Data ID
PubChem	46737706

M. W.

250.4771

CAS

865624-17-5

Similarity

N/A

ID: 289742

2-chloro-8-methoxyquinazolin-4-amine

$$$$ Data

M. F.

C9H8ClN3O

Suppliers	Catalog Number
Bide Pharmatech	BD225584

Database	Data ID
PubChem	12320028

M. W.

209.63232

CAS

61948-65-0

Similarity

N/A

ID: 289743

7-methoxyquinazoline-2,4-diol

$$$$ Data

M. F.

C9H8N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD225585

Database	Data ID
PubChem	19604241

M. W.

192.17142

CAS

62484-12-2

Similarity

N/A

ID: 289744

3-methyl-5H,6H,7H,8H-imidazo[1,5-a]pyrazine

$$$$ Data

M. F.

C7H11N3

Suppliers	Catalog Number
Bide Pharmatech	BD225586

Database	Data ID
PubChem	20825880

M. W.

137.18234

CAS

734531-00-1

Similarity

N/A

ID: 289745

methyl 1-benzyl-1H-imidazole-5-carboxylate

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD225588

Database	Data ID
PubChem	96879

M. W.

216.23588

CAS

73941-33-0

Similarity

N/A

ID: 289746

methyl 3-benzyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4-carboxylate

$$$$ Data

M. F.

C12H12N2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD225589

Database	Data ID
PubChem	1549704

M. W.

248.30088

CAS

76075-15-5

Similarity

N/A

ID: 289747

7-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

$$$$ Data

M. F.

C13H13FN2

Suppliers	Catalog Number
Bide Pharmatech	BD225590

Database	Data ID
PubChem	12083453

M. W.

216.2541232

CAS

200714-22-3

Similarity

N/A

ID: 289748

tert-butyl (3S)-1-aminopiperidine-3-carboxylate

$$$$ Data

M. F.

C10H20N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD225592

Database	Data ID
PubChem	29939707

M. W.

200.278

CAS

1225349-89-2

Similarity

N/A

ID: 289749

5-(morpholin-4-yl)-1H-indole

$$$$ Data

M. F.

C12H14N2O

Suppliers	Catalog Number
Bide Pharmatech	BD225593

Database	Data ID
PubChem	11401438

M. W.

202.25236

CAS

245117-16-2

Similarity

N/A

ID: 289750

5-(trifluoromethoxy)-1H-indole

$$$$ Data

M. F.

C9H6F3NO

Suppliers	Catalog Number
Bide Pharmatech	BD225594

Database	Data ID
PubChem	17989050

M. W.

201.1452496

CAS

262593-63-5

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