CFam Chemical Families Database
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You are searching for "CFAMM00335683" in compound.

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CFAM Mol ID CFAMM00335683
Family CFFBM2582 5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine receptor 1D ligand 1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethanone family
Superfamily CFSID2043 Renin Inhibitor Ro-66-1168 Superfamily
Class CFCCD20 Class 833
External ID CHEMBL285402 External Source CHEMBL
PubChem CID 44279550 Functional Category Bioactive
Molecule Name AGN-PC-073IAU
IUPAC Name 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyacetyl]piperazin-1-yl]ethanone
Synonyms CHEBI:143066;2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyacetyl]piperazin-1-yl]ethanone
InChi InChI=1S/C38H46N6O4/c1-39-13-17-41(18-14-39)35-7-3-5-29-9-11-31(25-33(29)35)47-27-37(45)43-21-23-44(24-22-43)38(46)28-48-32-12-10-30-6-4-8-36(34(30)26-32)42-19-15-40(2)16-20-42/h3-12,25-26H,13-24,27-28H2,1-2H3
InChiKey VTQFKNOCGMLKLQ-UHFFFAOYSA-N
Formula C38H46N6O4 Molecular Weight 650.81
Cross Link CHEMBL285402
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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