CFam Chemical Families Database
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You are searching for "CFAMM00056954" in compound.

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CFAM Mol ID CFAMM00056954
Family CFFAD403 3-hydroxy-3-methylglutaryl-coenzyme A reductase Inhibitor Fluvastatin Family
Superfamily CFSAD349 3-hydroxy-3-methylglutaryl-coenzyme A reductase Inhibitor Fluvastatin Superfamily
Class CFCAD327 Class 327
External ID DNC001025 External Source TTD
PubChem CID 5282451 Functional Category Investigative Drug
Molecule Name NK-104
IUPAC Name calcium;(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
Synonyms Livalo;147526-32-7;Pitavastatin hemicalcium;NK-104;Nisvastatin;UNII-IYD54XEG3W;CHEBI:71258;Alipza;Flovas;Livazo
InChi InChI=1S/2C25H24FNO4.Ca/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/b2*12-11+;/t2*18-,19-;/m11./s1
InChiKey RHGYHLPFVJEAOC-FFNUKLMVSA-L
Formula C50H46CaF2N2O8 Molecular Weight 880.98
Cross Link CHEMBL1237061
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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