Chembase list of 866358 unique molecular structures

tert-butyl N-[(2S)-2-amino-3-phenylpropyl]carbamate

$$$$ Data

M. F.

C14H22N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD231686

Database	Data ID
PubChem	53637716

M. W.

250.33668

CAS

167298-44-4

Similarity

N/A

ID: 291652

5-chloro-3-fluorobenzene-1,2-diamine

$$$$ Data

M. F.

C6H6ClFN2

Suppliers	Catalog Number
Bide Pharmatech	BD231688

Database	Data ID
PubChem	58475325

M. W.

160.5766432

CAS

1106717-48-9

Similarity

N/A

ID: 291653

5-ethoxy-1H-pyrrolo[3,2-b]pyridine

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Bide Pharmatech	BD231689

Database	Data ID
PubChem	14822064

M. W.

162.1885

CAS

23612-31-9

Similarity

N/A

ID: 291654

2,4-dibromobenzaldehyde

$$$$ Data

M. F.

C7H4Br2O

Suppliers	Catalog Number
Bide Pharmatech	BD231690
A&J Pharmtech	AJA-O36884

Database	Data ID
PubChem	621611

M. W.

263.91406

CAS

5629-98-1

Similarity

N/A

ID: 291655

1,3-dibromo-2-fluorobenzene

$$$$ Data

M. F.

C6H3Br2F

Suppliers	Catalog Number
Bide Pharmatech	BD231692

Database	Data ID
PubChem	14071460

M. W.

253.8944232

CAS

1435-54-7

Similarity

N/A

ID: 291656

2-amino-1-(3-methylphenyl)ethan-1-one hydrochloride

$$$$ Data

M. F.

C9H12ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD231693
A&J Pharmtech	AJA-O13634

Database	Data ID
PubChem	69667593

M. W.

185.65068

CAS

70785-83-0

Similarity

N/A

ID: 291657

(2-bromo-3-iodophenyl)methanol

$$$$ Data

M. F.

C7H6BrIO

Suppliers	Catalog Number
Bide Pharmatech	BD231695

Database	Data ID
PubChem	70700250

M. W.

312.93041

CAS

1261571-03-2

Similarity

N/A

ID: 291658

[2-bromo-3-(trifluoromethyl)phenyl]methanamine hydrochloride

$$$$ Data

M. F.

C8H8BrClF3N

Suppliers	Catalog Number
Bide Pharmatech	BD231696

Database	Data ID
PubChem	70700248

M. W.

290.5080296

CAS

1214339-18-0

Similarity

N/A

ID: 291659

2-chloro-4-fluoro-3-methylbenzaldehyde

$$$$ Data

M. F.

C8H6ClFO

Suppliers	Catalog Number
Bide Pharmatech	BD231699
A&J Pharmtech	AJA-O4933

Database	Data ID
PubChem	70700247

M. W.

172.5840432

CAS

1260764-27-9

Similarity

N/A

ID: 291660

2-cyano-5-fluorobenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C7H3ClFNO2S

Suppliers	Catalog Number
Bide Pharmatech	BD231700

Database	Data ID
PubChem	55280153

M. W.

219.6206232

CAS

612541-15-8

Similarity

N/A

ID: 291661

2-cyano-5-methoxybenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C8H6ClNO3S

Suppliers	Catalog Number
Bide Pharmatech	BD231701

Database	Data ID
PubChem	55279126

M. W.

231.65614

CAS

201935-41-3

Similarity

N/A

ID: 291662

2-(difluoromethoxy)-6-fluorobenzaldehyde

$$$$ Data

M. F.

C8H5F3O2

Suppliers	Catalog Number
Bide Pharmatech	BD231702

Database	Data ID
PubChem	46311638

M. W.

190.1193096

CAS

1214333-68-2

Similarity

N/A

ID: 291663

2-fluoro-3-methyl-6-nitroaniline

$$$$ Data

M. F.

C7H7FN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD231703

Database	Data ID
PubChem	70700190

M. W.

170.1410832

CAS

1261676-68-9

Similarity

N/A

ID: 291664

2-fluoro-5-methoxybenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C7H6ClFO3S

Suppliers	Catalog Number
Bide Pharmatech	BD231704

Database	Data ID
PubChem	15725377

M. W.

224.6371432

CAS

1214334-01-6

Similarity

N/A

ID: 291665

(2-fluoro-5-nitrophenyl)methanamine hydrochloride

$$$$ Data

M. F.

C7H8ClFN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD231705

Database	Data ID
PubChem	70700246

M. W.

206.6020232

CAS

1214328-26-3

Similarity

N/A

ID: 291666

2-methyl-5-[(trifluoromethyl)sulfanyl]aniline

$$$$ Data

M. F.

C8H8F3NS

Suppliers	Catalog Number
Bide Pharmatech	BD231706

Database	Data ID
PubChem	40427146

M. W.

207.2160296

CAS

933673-21-3

Similarity

N/A

ID: 291667

ethyl 3-(3,5-dichlorophenyl)-3-oxopropanoate

$$$$ Data

M. F.

C11H10Cl2O3

Suppliers	Catalog Number
Bide Pharmatech	BD231708
A&J Pharmtech	AJA-O13564

Database	Data ID
PubChem	2758177

M. W.

261.1013

CAS

172168-01-3

Similarity

N/A

ID: 291668

3,5-difluoro-4-methylaniline

$$$$ Data

M. F.

C7H7F2N

Suppliers	Catalog Number
Bide Pharmatech	BD231710

Database	Data ID
PubChem	2737656

M. W.

143.1339864

CAS

878285-13-3

Similarity

N/A

ID: 291669

2-bromo-4-methoxy-1-(trifluoromethoxy)benzene

$$$$ Data

M. F.

C8H6BrF3O2

Suppliers	Catalog Number
Bide Pharmatech	BD231711

Database	Data ID
PubChem	57582328

M. W.

271.0312496

CAS

1049730-91-7

Similarity

N/A

ID: 291670

2-bromo-4-methoxy-1-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H6BrF3O

Suppliers	Catalog Number
Bide Pharmatech	BD231712
A&J Pharmtech	AJA-O19731

Database	Data ID
PubChem	23135542

M. W.

255.0318496

CAS

944901-07-9

Similarity

N/A

ID: 291671

3-bromo-4-(trifluoromethyl)benzaldehyde

$$$$ Data

M. F.

C8H4BrF3O

Suppliers	Catalog Number
Bide Pharmatech	BD231713

Database	Data ID
PubChem	11482172

M. W.

253.0159696

CAS

372120-55-3

Similarity

N/A

ID: 291672

2-(5-chloro-1H-indazol-3-yl)acetic acid

$$$$ Data

M. F.

C9H7ClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD231740
A&J Pharmtech	AJA-O20776

Database	Data ID
PubChem	12470261

M. W.

210.61708

CAS

27328-68-3

Similarity

N/A

ID: 291673

(2S)-1-chloro-3-acetamidopropan-2-yl acetate

$$$$ Data

M. F.

C7H12ClNO3

Suppliers	Catalog Number
Bide Pharmatech	BD231742

Database	Data ID
PubChem	7357675

M. W.

193.62808

CAS

183905-31-9

Similarity

N/A

ID: 291674

1-(4-aminophenoxy)-3-ethoxypropan-2-ol

$$$$ Data

M. F.

C11H17NO3

Suppliers	Catalog Number
Bide Pharmatech	BD231750

Database	Data ID
PubChem	10774857

M. W.

211.25758

CAS

94056-98-1

Similarity

N/A

ID: 291675

2-[(2-hydroxyethyl)amino]-4,6-dinitrophenol

$$$$ Data

M. F.

C8H9N3O6

Suppliers	Catalog Number
Bide Pharmatech	BD231754

Database	Data ID
PubChem	5463814

M. W.

243.17356

CAS

99610-72-7

Similarity

N/A

ID: 291676

4-nitrobenzene-1,2-diamine; sulfuric acid

$$$$ Data

M. F.

C6H9N3O6S

Suppliers	Catalog Number
Bide Pharmatech	BD231756

Database	Data ID
PubChem	5361844

M. W.

251.21716

CAS

68239-82-7

Similarity

N/A

ID: 291677

4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol

$$$$ Data

M. F.

C14H22N2O

Suppliers	Catalog Number
Bide Pharmatech	BD231759

Database	Data ID
PubChem	90271

M. W.

234.33728

CAS

23808-42-6

Similarity

N/A

ID: 291678

4-(2-phenylpropan-2-yl)aniline hydrochloride

$$$$ Data

M. F.

C15H18ClN

Suppliers	Catalog Number
Bide Pharmatech	BD231761

Database	Data ID
PubChem	70700280

M. W.

247.76312

CAS

Similarity

N/A

ID: 291679

methyl 2-aminocyclopent-1-ene-1-carboxylate

$$$$ Data

M. F.

C7H11NO2

Suppliers	Catalog Number
Bide Pharmatech	BD231765

Database	Data ID
PubChem	22234703

M. W.

141.16774

CAS

52909-60-1

Similarity

N/A

ID: 291680

2-bromo-3,4,5-trichloropyridine

$$$$ Data

M. F.

C5HBrCl3N

Suppliers	Catalog Number
Bide Pharmatech	BD231770
A&J Pharmtech	AJA-O3852

Database	Data ID
PubChem	70700281

M. W.

261.33114

CAS

1330061-11-4

Similarity

N/A

ID: 291681

[3-bromo-4-(trifluoromethyl)phenyl]methanamine hydrochloride

$$$$ Data

M. F.

C8H8BrClF3N

Suppliers	Catalog Number
Bide Pharmatech	BD231714

Database	Data ID
PubChem	70700245

M. W.

290.5080296

CAS

1214327-18-0

Similarity

N/A

ID: 291682

3-bromo-5-fluoro-4-hydroxybenzaldehyde

$$$$ Data

M. F.

C7H4BrFO2

Suppliers	Catalog Number
Bide Pharmatech	BD231715

Database	Data ID
PubChem	18701750

M. W.

219.0078632

CAS

185345-46-4

Similarity

N/A

ID: 291683

4-(2-bromoethyl)-2-chloro-1-fluorobenzene

$$$$ Data

M. F.

C8H7BrClF

Suppliers	Catalog Number
Bide Pharmatech	BD231716

Database	Data ID
PubChem	53404109

M. W.

237.4965832

CAS

1260809-91-3

Similarity

N/A

ID: 291684

3-chloro-5-methoxyaniline

$$$$ Data

M. F.

C7H8ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD231717

Database	Data ID
PubChem	82508

M. W.

157.59752

CAS

10272-06-7

Similarity

N/A

ID: 291685

(3-fluoro-4-iodophenyl)methanol

$$$$ Data

M. F.

C7H6FIO

Suppliers	Catalog Number
Bide Pharmatech	BD231718

Database	Data ID
PubChem	70700244

M. W.

252.0248132

CAS

1261615-96-6

Similarity

N/A

ID: 291686

2-(3-fluoro-4-iodophenyl)acetic acid

$$$$ Data

M. F.

C8H6FIO2

Suppliers	Catalog Number
Bide Pharmatech	BD231719

Database	Data ID
PubChem	70700243

M. W.

280.0349132

CAS

1261874-58-1

Similarity

N/A

ID: 291687

2-chloro-4-(pyridin-4-yl)pyridine

$$$$ Data

M. F.

C10H7ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD231775
A&J Pharmtech	AJA-O7481

Database	Data ID
PubChem	13533718

M. W.

190.62898

CAS

53344-73-3

Similarity

N/A

ID: 291688

piperidin-3-ylmethanamine dihydrochloride

$$$$ Data

M. F.

C6H16Cl2N2

Suppliers	Catalog Number
Bide Pharmatech	BD231808
A&J Pharmtech	AJA-O33360

Database	Data ID
PubChem	44890848

M. W.

187.11064

CAS

127294-77-3

Similarity

N/A

ID: 291689

methyl 5-bromo-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C5H5BrN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD231822

Database	Data ID
PubChem	71463783

M. W.

205.0094

CAS

1328893-17-9

Similarity

N/A

ID: 291690

(2R)-2-[(2R)-2-amino-3-phenylpropanamido]-3-phenylpropanoic acid

$$$$ Data

M. F.

C18H20N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD231827

Database	Data ID
PubChem	6426953

M. W.

312.363

CAS

58607-69-5

Similarity

N/A

ID: 291691

2-(2,5-diaminophenyl)ethan-1-ol; sulfuric acid

$$$$ Data

M. F.

C8H14N2O5S

Suppliers	Catalog Number
Bide Pharmatech	BD23184

Database	Data ID
PubChem	44558315

M. W.

250.27216

CAS

93841-25-9

Similarity

N/A

ID: 291692

2-(3-fluoro-4-iodophenyl)acetonitrile

$$$$ Data

M. F.

C8H5FIN

Suppliers	Catalog Number
Bide Pharmatech	BD231720

Database	Data ID
PubChem	57355931

M. W.

261.0348732

CAS

92676-16-9

Similarity

N/A

ID: 291693

(3-fluoro-5-nitrophenyl)methanol

$$$$ Data

M. F.

C7H6FNO3

Suppliers	Catalog Number
Bide Pharmatech	BD231721

Database	Data ID
PubChem	66907232

M. W.

171.1258432

CAS

883987-74-4

Similarity

N/A

ID: 291694

2-(4-bromo-2-chlorophenyl)acetic acid

$$$$ Data

M. F.

C8H6BrClO2

Suppliers	Catalog Number
Bide Pharmatech	BD231724
A&J Pharmtech	AJA-O7375

Database	Data ID
PubChem	53403617

M. W.

249.48904

CAS

916516-89-7

Similarity

N/A

ID: 291695

2-[4-bromo-2-(trifluoromethyl)phenyl]acetonitrile

$$$$ Data

M. F.

C9H5BrF3N

Suppliers	Catalog Number
Bide Pharmatech	BD231725

Database	Data ID
PubChem	58488407

M. W.

264.0419096

CAS

877131-92-5

Similarity

N/A

ID: 291696

1-bromo-2-(difluoromethyl)-4-methoxybenzene

$$$$ Data

M. F.

C8H7BrF2O

Suppliers	Catalog Number
Bide Pharmatech	BD231726

Database	Data ID
PubChem	46311765

M. W.

237.0413864

CAS

1214329-81-3

Similarity

N/A

ID: 291697

4-(difluoromethoxy)-2-fluorobenzaldehyde

$$$$ Data

M. F.

C8H5F3O2

Suppliers	Catalog Number
Bide Pharmatech	BD231727

Database	Data ID
PubChem	46311636

M. W.

190.1193096

CAS

1214358-05-0

Similarity

N/A

ID: 291698

4-nitro-3-(trifluoromethyl)benzaldehyde

$$$$ Data

M. F.

C8H4F3NO3

Suppliers	Catalog Number
Bide Pharmatech	BD231729

Database	Data ID
PubChem	54370471

M. W.

219.1174696

CAS

101066-57-3

Similarity

N/A

ID: 291699

5-cyano-2-fluorobenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C7H3ClFNO2S

Suppliers	Catalog Number
Bide Pharmatech	BD231732

Database	Data ID
PubChem	55280060

M. W.

219.6206232

CAS

1101120-80-2

Similarity

N/A

ID: 291700

ethyl 2-(3-fluoro-4-iodophenyl)acetate

$$$$ Data

M. F.

C10H10FIO2

Suppliers	Catalog Number
Bide Pharmatech	BD231733

Database	Data ID
PubChem	57347324

M. W.

308.0880732

CAS

1261606-34-1

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