CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00425440" 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 CFAMM00425440
Family CFFBM13975 Beta-secretase 1 inhibitor CHEMBL400438 family
Superfamily CFSBM2986 Trypsin-1 and Beta-secretase 1 Binder Superfamily
Class CFCID746 Class 2096
External ID CHEMBL400530 External Source CHEMBL
PubChem CID 44441703 Functional Category Bioactive
Molecule Name CHEMBL400530
IUPAC Name
Synonyms CHEBI:513425
InChi InChI=1S/C31H37N3O5S/c1-4-15-34(40(3,37)38)27-18-24-17-26(19-27)29(35)33-28(25-11-6-5-7-12-25)14-13-22-9-8-10-23(16-22)20-31(2,32)30(36)39-21-24/h5-12,16-19,28H,4,13-15,20-21,32H2,1-3H3,(H,33,35)/t28-,31-/m1/s1
InChiKey LLXSJJHSWWXYCR-GRKNLSHJSA-N
Formula C31H37N3O5S Molecular Weight 563.71
Cross Link CHEMBL400530
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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