CFam Chemical Families Database
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You are searching for "CFAMM00330399" in compound.

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CFAM Mol ID CFAMM00330399
Family CFFBM2099 Pol polyprotein inhibitor benzyl (2S)-2-[[[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-(2-phenylethyl)carbamoyl]amino]-3-methylbutanoate family
Superfamily CFSBM867 Pol polyprotein and Collagenase 3 Binder Superfamily
Class CFCBM337 Class 3387
External ID CHEMBL333312 External Source CHEMBL
PubChem CID 474351 Functional Category Bioactive
Molecule Name AC1LASTR
IUPAC Name 3-benzyl-1-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-1-(2-phenylethyl)urea
Synonyms CHEBI:298810;3-benzyl-1-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-1-phenethylurea;N-((2S)-3-{(Cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)-N-(2-phenylethyl)[benzylamino]carboxamide
InChi InChI=1S/C32H41N3O5S/c1-40-30-16-18-31(19-17-30)41(38,39)35(23-28-14-8-9-15-28)25-29(36)24-34(21-20-26-10-4-2-5-11-26)32(37)33-22-27-12-6-3-7-13-27/h2-7,10-13,16-19,28-29,36H,8-9,14-15,20-25H2,1H3,(H,33,37)/t29-/m0/s1
InChiKey VECYTROZXMZSFL-LJAQVGFWSA-N
Formula C32H41N3O5S Molecular Weight 579.75
Cross Link CHEMBL333312
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Professor in Department of Pharmacy
National University of Singapore, Singapore


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