CFam Chemical Families Database
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You are searching for "CFAMM00425443" in compound.

Total 1 results found.

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 CFAMM00425443
Family CFFBM13975 Beta-secretase 1 inhibitor CHEMBL400438 family
Superfamily CFSBM2986 Trypsin-1 and Beta-secretase 1 Binder Superfamily
Class CFCID746 Class 2096
External ID CHEMBL1084135 External Source CHEMBL
PubChem CID 11432989 Functional Category Bioactive
Molecule Name SureCN2212162
IUPAC Name 3-[(2-amino-2-benzyl-3,3-difluoropropoxy)methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide
Synonyms CHEBI:715866
InChi InChI=1S/C28H32F3N3O4S/c1-19(22-9-11-24(29)12-10-22)33-26(35)23-13-21(14-25(15-23)34(2)39(3,36)37)17-38-18-28(32,27(30)31)16-20-7-5-4-6-8-20/h4-15,19,27H,16-18,32H2,1-3H3,(H,33,35)/t19-,28?/m1/s1
InChiKey XUQLLZRPXRLNKI-OJQMSQGESA-N
Formula C28H32F3N3O4S Molecular Weight 563.63
Cross Link CHEMBL1084135
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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