CFam Chemical Families Database
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You are searching for "CFAMM00485200" 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 CFAMM00485200
Family CFFBM28225 B1 bradykinin receptor ligand SureCN5392679 family
Superfamily CFSBM1007 B1 bradykinin receptor and B2 bradykinin receptor Binder Superfamily
Class CFCCD92 Class 905
External ID CHEMBL381979 External Source CHEMBL
PubChem CID 11444165 Functional Category Bioactive
Molecule Name SureCN5392679
IUPAC Name N-[(1R)-6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2S)-1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
Synonyms CHEBI:445214
InChi InChI=1S/C29H40ClN3O3S/c1-20-11-13-24(18-26(20)30)37(35,36)33-15-6-5-9-23(33)17-28(34)32-27-10-7-8-22-16-21(12-14-25(22)27)19-31-29(2,3)4/h11-14,16,18,23,27,31H,5-10,15,17,19H2,1-4H3,(H,32,34)/t23-,27+/m0/s1
InChiKey SBWGCQIBSAGBRU-WNCULLNHSA-N
Formula C29H40ClN3O3S Molecular Weight 546.16
Cross Link CHEMBL381979
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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