CFam Chemical Families Database
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You are searching for "CFAMM00316806" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00316806
Family CFFBM884 Beta-secretase 1 inhibitor SureCN3599637 family
Superfamily CFSBM500 Beta-secretase 1 and Beta-secretase 2 Binder Superfamily 2
Class CFCID335 Class 1685
External ID CHEMBL1092146 External Source CHEMBL
PubChem CID 11512310 Functional Category Bioactive
Molecule Name SureCN3599637
IUPAC Name 3-[5-(2-amino-1-phenylpropan-2-yl)furan-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide
Synonyms CHEBI:716132
InChi InChI=1S/C30H32FN3O4S/c1-20(22-10-12-25(31)13-11-22)33-29(35)24-16-23(17-26(18-24)34(3)39(4,36)37)27-14-15-28(38-27)30(2,32)19-21-8-6-5-7-9-21/h5-18,20H,19,32H2,1-4H3,(H,33,35)/t20-,30?/m1/s1
InChiKey SPQNHSZTLTXJJP-UEWHNOOISA-N
Formula C30H32FN3O4S Molecular Weight 549.66
Cross Link CHEMBL1092146
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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