CFam Chemical Families Database
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You are searching for "CFAMM00147336" in compound.

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CFAM Mol ID CFAMM00147336
Family CFFCD269 Coagulation factor X Inhibitor Apixaban Family
Superfamily CFSCD245 Coagulation factor X Inhibitor Apixaban Superfamily
Class CFCCD186 Class 999
External ID CHEMBL391787 External Source CHEMBL
PubChem CID 23634758 Functional Category Bioactive
Molecule Name tert-butyl N-[6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-3-yl]-N-methylcarbamate
IUPAC Name tert-butyl N-[6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-3-yl]-N-methylcarbamate
Synonyms Pyrazolopyridinone analogue, 23
InChi InChI=1S/C36H41N5O5/c1-36(2,3)46-35(44)38(4)33-31-19-21-40(34(43)32(31)41(37-33)27-14-16-29(45-5)17-15-27)26-12-10-24(11-13-26)30-9-7-6-8-25(30)22-39-20-18-28(42)23-39/h6-17,28,42H,18-23H2,1-5H3/t28-/m1/s1
InChiKey WAGIMACQVHFHAK-MUUNZHRXSA-N
Formula C36H41N5O5 Molecular Weight 623.74
Cross Link CHEMBL391787
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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