CFam Chemical Families Database
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You are searching for "CFAMM00416876" 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 CFAMM00416876
Family CFFBM12564 Nociceptin receptor and Kappa-type opioid receptor ligand AGN-PC-0768PH family
Superfamily CFSAD619 Histamine H1 receptor Ligand Chlophedianol Superfamily
Class CFCAD225 Class 225
External ID CHEMBL232286 External Source CHEMBL
PubChem CID 44430087 Functional Category Bioactive
Molecule Name AGN-PC-0768PJ
IUPAC Name 1-[bis(2-chlorophenyl)methyl]-4-[2-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]piperidin-4-ol
Synonyms CHEBI:493576;1-[bis(2-chlorophenyl)methyl]-4-[2-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]piperidin-4-ol
InChi InChI=1S/C32H39Cl2N3O3S/c1-24(2)41(39,40)37-21-19-35(20-22-37)23-25-9-3-6-12-28(25)32(38)15-17-36(18-16-32)31(26-10-4-7-13-29(26)33)27-11-5-8-14-30(27)34/h3-14,24,31,38H,15-23H2,1-2H3
InChiKey VVKGDYNXTFLKQR-UHFFFAOYSA-N
Formula C32H39Cl2N3O3S Molecular Weight 616.64
Cross Link CHEMBL232286
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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