CFam Chemical Families Database
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You are searching for "CFAMM00318554" in compound.

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CFAM Mol ID CFAMM00318554
Family CFFBM1023 Beta-secretase 1 inhibitor SureCN8293614 family
Superfamily CFSBM579 Beta-secretase 1 and Cathepsin B Binder Superfamily
Class CFCBM78 Class 3128
External ID CHEMBL1097333 External Source CHEMBL
PubChem CID 46888944 Functional Category Bioactive
Molecule Name SureCN8293614
IUPAC Name 1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-thiophen-2-ylsulfonylpiperazin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
Synonyms CHEBI:729031
InChi InChI=1S/C32H40F2N4O5S2/c1-4-9-37(10-5-2)32(41)24-14-21(3)13-23(18-24)31(40)36-27(17-22-15-25(33)19-26(34)16-22)30(39)28-20-38(11-8-35-28)45(42,43)29-7-6-12-44-29/h6-7,12-16,18-19,27-28,30,35,39H,4-5,8-11,17,20H2,1-3H3,(H,36,40)/t27-,28+,30-/m0/s1
InChiKey HPXTWKXHCWYIII-LXQNXJGFSA-N
Formula C32H40F2N4O5S2 Molecular Weight 662.81
Cross Link CHEMBL1097333
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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