CFam Chemical Families Database
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You are searching for "CFAMM00335841" in compound.

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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 CFAMM00335841
Family CFFBM2599 Cathepsin K inhibitor SureCN2155973 family
Superfamily CFSBM1410 Cathepsin K and Cathepsin S Binder Superfamily 7
Class CFCAD147 Class 147
External ID CHEMBL598299 External Source CHEMBL
PubChem CID 46231381 Functional Category Bioactive
Molecule Name SureCN13446018
IUPAC Name 1-[6-[4-[(1S)-1-[[(2S)-1-[(1-cyanocyclopropyl)amino]-4-fluoro-4-methyl-1-oxopentan-2-yl]amino]-2,2,2-trifluoroethyl]phenyl]pyridin-3-yl]cyclopropane-1-carboxamide
Synonyms CHEBI:700944
InChi InChI=1S/C27H29F4N5O2/c1-24(2,28)13-20(22(37)36-25(15-32)9-10-25)35-21(27(29,30)31)17-5-3-16(4-6-17)19-8-7-18(14-34-19)26(11-12-26)23(33)38/h3-8,14,20-21,35H,9-13H2,1-2H3,(H2,33,38)(H,36,37)/t20-,21-/m0/s1
InChiKey CJFOCNWCMLEDOZ-SFTDATJTSA-N
Formula C27H29F4N5O2 Molecular Weight 531.55
Cross Link CHEMBL598299
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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