CFam Chemical Families Database
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You are searching for "CFAMM00455200" in compound.

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CFAM Mol ID CFAMM00455200
Family CFFBM20268 Cathepsin D and Beta-secretase 1 inhibitor N-[(2S,3R)-4-[[1-[3-tert-butyl-5-(methanesulfonamido)phenyl]cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide family
Superfamily CFSBM1347 Beta-secretase 1 and Cathepsin D Binder Superfamily 2
Class CFCBM500 Class 3550
External ID CHEMBL1258001 External Source CHEMBL
PubChem CID 52948105 Functional Category Bioactive
Molecule Name N-[(2S,3R)-4-[[1-[3-tert-butyl-5-(methanesulfonamido)phenyl]cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
IUPAC Name N-[(2S,3R)-4-[[1-[3-tert-butyl-5-(methanesulfonamido)phenyl]cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
Synonyms CHEBI:807007
InChi InChI=1S/C29H41F2N3O4S/c1-19(35)33-26(13-20-11-23(30)17-24(31)12-20)27(36)18-32-29(9-7-6-8-10-29)22-14-21(28(2,3)4)15-25(16-22)34-39(5,37)38/h11-12,14-17,26-27,32,34,36H,6-10,13,18H2,1-5H3,(H,33,35)/t26-,27+/m0/s1
InChiKey FNQGRLXOQONVJG-RRPNLBNLSA-N
Formula C29H41F2N3O4S Molecular Weight 565.72
Cross Link CHEMBL1258001
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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