CFam Chemical Families Database
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You are searching for "CFAMM00025531" in compound.

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CFAM Mol ID CFAMM00025531
Family CFFAD148 HIV protease Inhibitor Saquinavir Family
Superfamily CFSAD139 HIV protease Inhibitor Saquinavir Superfamily
Class CFCAD137 Class 137
External ID CHEMBL185349 External Source CHEMBL
PubChem CID 44394897 Functional Category Bioactive
Molecule Name AGN-PC-075FXA
IUPAC Name 3-[[1-[3-[(3-hydroxy-1,2,3,4-tetrahydropyridin-6-yl)amino]benzoyl]piperidine-4-carbonyl]amino]-3-quinolin-3-ylpropanoic acid
Synonyms CHEBI:409653;3-[[1-[3-[(3-hydroxy-1,2,3,4-tetrahydropyridin-6-yl)amino]benzoyl]piperidine-4-carbonyl]amino]-3-quinolin-3-ylpropanoic acid
InChi InChI=1S/C30H33N5O5/c36-24-8-9-27(32-18-24)33-23-6-3-5-21(15-23)30(40)35-12-10-19(11-13-35)29(39)34-26(16-28(37)38)22-14-20-4-1-2-7-25(20)31-17-22/h1-7,9,14-15,17,19,24,26,32-33,36H,8,10-13,16,18H2,(H,34,39)(H,37,38)
InChiKey KLOOZQSECCCWDS-UHFFFAOYSA-N
Formula C30H33N5O5 Molecular Weight 543.61
Cross Link CHEMBL185349
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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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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