CFam Chemical Families Database
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You are searching for "CFAMM00313314" in compound.

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CFAM Mol ID CFAMM00313314
Family CFFBM570 Cathepsin K inhibitor N-[(2S)-1-(4-methoxyanilino)propan-2-yl]-1-(3-phenylanilino)cyclohexane-1-carboxamide family
Superfamily CFSBM347 Cathepsin K and Cathepsin L1 Binder Superfamily 2
Class CFCID1067 Class 2417
External ID ZINC03999788 External Source ZINC
PubChem CID 7069611 Functional Category Natural Product
Molecule Name (4S)-4-[(4R)-2,2-dimethyloxan-4-yl]-1-(4-methoxyanilino)-4-phenylbutan-2-one
IUPAC Name (4S)-4-[(4R)-2,2-dimethyloxan-4-yl]-1-(4-methoxyanilino)-4-phenylbutan-2-one
Synonyms AC1OF6IA;(4S)-4-[(4R)-2,2-dimethyloxan-4-yl]-1-(4-methoxyanilino)-4-phenylbutan-2-one
InChi InChI=1S/C24H31NO3/c1-24(2)16-19(13-14-28-24)23(18-7-5-4-6-8-18)15-21(26)17-25-20-9-11-22(27-3)12-10-20/h4-12,19,23,25H,13-17H2,1-3H3/t19-,23-/m1/s1
InChiKey MQROWIHUQBYQQU-AUSIDOKSSA-N
Formula C24H31NO3 Molecular Weight 381.51
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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