CFAM Mol ID	CFAMM00310462
Family	CFFBM340 Beta-secretase 1 and Cathepsin D inhibitor (1R,3S)-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-3-[2-(2-oxopiperidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide family
Superfamily	CFSBM212 Pol polyprotein and Beta-secretase 1 Binder Superfamily
Class	CFCAD607 Class 607
External ID	CHEMBL584121	External Source	CHEMBL
PubChem CID	45486988	Functional Category	Bioactive
Molecule Name	N-[(2S,3R)-4-[[1-acetyl-3-(3-tert-butylphenyl)piperidin-3-yl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
IUPAC Name	N-[(2S,3R)-4-[[1-acetyl-3-(3-tert-butylphenyl)piperidin-3-yl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
Synonyms	CHEBI:681108
InChi	InChI=1S/C29H39F2N3O3/c1-19(35)33-26(14-21-12-24(30)16-25(31)13-21)27(37)17-32-29(10-7-11-34(18-29)20(2)36)23-9-6-8-22(15-23)28(3,4)5/h6,8-9,12-13,15-16,26-27,32,37H,7,10-11,14,17-18H2,1-5H3,(H,33,35)/t26-,27+,29?/m0/s1
InChiKey	PMWAUAFQTSGIKR-ZDCXKQOISA-N
Formula	C29H39F2N3O3	Molecular Weight	515.64
Cross Link	CHEMBL584121
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

48700 visits since 2014 .........

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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