CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00441920" 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 CFAMM00441920
Family CFFBM17338 C-C chemokine receptor type 5 ligand N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide family
Superfamily CFSCD258 C-C chemokine receptor type 5 Ligand AZD5672 Superfamily
Class CFCCD92 Class 905
External ID CHEMBL1683945 External Source CHEMBL
PubChem CID 53318456 Functional Category Bioactive
Molecule Name AGN-PC-09QHTY
IUPAC Name tert-butyl 4-[1-[[2-(4-methylsulfonylphenyl)acetyl]amino]propan-2-yl]piperidine-1-carboxylate
Synonyms CHEBI:1174153;tert-butyl 4-[1-[[2-(4-methylsulfonylphenyl)acetyl]amino]propan-2-yl]piperidine-1-carboxylate
InChi InChI=1S/C22H34N2O5S/c1-16(18-10-12-24(13-11-18)21(26)29-22(2,3)4)15-23-20(25)14-17-6-8-19(9-7-17)30(5,27)28/h6-9,16,18H,10-15H2,1-5H3,(H,23,25)
InChiKey SLZVKIRSPIZHMD-UHFFFAOYSA-N
Formula C22H34N2O5S Molecular Weight 438.58
Cross Link CHEMBL1683945
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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