CFam Chemical Families Database
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You are searching for "CFAMM00419470" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00419470
Family CFFBM12989 3-hydroxy-3-methylglutaryl-coenzyme A reductase inhibitor (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one family
Superfamily CFSBM5920 3-hydroxy-3-methylglutaryl-coenzyme A reductase Binder Superfamily 3
Class CFCAD327 Class 327
External ID 18639200 External Source PubChem
PubChem CID 18639200 Functional Category Patent Compound
Molecule Name
IUPAC Name (4S,6R)-6-[2-[4-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one
Synonyms
InChi InChI=1S/C27H28FN3O3/c1-30-12-14-31(15-13-30)27-23(11-10-21-16-20(32)17-25(33)34-21)26(18-6-8-19(28)9-7-18)22-4-2-3-5-24(22)29-27/h2-11,20-21,32H,12-17H2,1H3/t20-,21-/m0/s1
InChiKey OVOFQEHUEUBYEX-SFTDATJTSA-N
Formula C27H28FN3O3 Molecular Weight 461.53
Cross Link
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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