CFam Chemical Families Database
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You are searching for "CFAMM00427216" in compound.

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CFAM Mol ID CFAMM00427216
Family CFFBM14227 Beta-secretase 1 inhibitor 1-N-[(1R,2S)-1-[(2R,4S)-4-butoxypiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide family
Superfamily CFSID981 Plasmepsin-2 Inhibitor PS-222036 Superfamily
Class CFCID676 Class 2026
External ID CHEMBL257645 External Source CHEMBL
PubChem CID 11664318 Functional Category Bioactive
Molecule Name 1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-(2-methoxyethoxy)piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
IUPAC Name 1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-(2-methoxyethoxy)piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
Synonyms SureCN8293949
InChi InChI=1S/C32H45F2N3O5/c1-5-9-37(10-6-2)32(40)24-14-21(3)13-23(18-24)31(39)36-29(17-22-15-25(33)19-26(34)16-22)30(38)28-20-27(7-8-35-28)42-12-11-41-4/h13-16,18-19,27-30,35,38H,5-12,17,20H2,1-4H3,(H,36,39)/t27-,28+,29-,30+/m0/s1
InChiKey QZIUWBOXWNXLDR-RRGQHJHPSA-N
Formula C32H45F2N3O5 Molecular Weight 589.71
Cross Link CHEMBL257645
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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