CFam Chemical Families Database
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You are searching for "CFAMM00326616" in compound.

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CFAM Mol ID CFAMM00326616
Family CFFBM1709 Substance-P receptor ligand (3R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenyl-1-(pyrimidine-2-carbonyl)pyrrolidine-3-carboxamide family
Superfamily CFSCD638 Histone deacetylase 6 Inhibitor ACY-1215 Superfamily
Class CFCAD144 Class 144
External ID CHEMBL1202532 External Source CHEMBL
PubChem CID 13476590 Functional Category Bioactive
Molecule Name 1'-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione;hydrochloride
IUPAC Name 1'-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione;hydrochloride
Synonyms AGN-PC-00MQ2D;1'-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione;hydrochloride
InChi InChI=1S/C25H31N5O2.ClH/c31-22-19-25(9-8-20-6-1-2-7-21(20)18-25)23(32)30(22)13-4-3-12-28-14-16-29(17-15-28)24-26-10-5-11-27-24;/h1-2,5-7,10-11H,3-4,8-9,12-19H2;1H
InChiKey MBSCHQOCFOXRGY-UHFFFAOYSA-N
Formula C25H32ClN5O2 Molecular Weight 470.01
Cross Link CHEMBL1202532
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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