CFam Chemical Families Database
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You are searching for "CFAMM00435028" in compound.

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CFAM Mol ID CFAMM00435028
Family CFFBM15591 Sodium-dependent dopamine transporter and Sigma non-opioid intracellular receptor 1 ligand (2S)-1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]-3-phenylpropan-2-ol family
Superfamily CFSBM3394 Cytochrome P450 3A4 and Bloom syndrome protein Binder Superfamily
Class CFCBM1209 Class 4259
External ID CHEMBL502790 External Source CHEMBL
PubChem CID 44580720 Functional Category Bioactive
Molecule Name AGN-PC-077MK2
IUPAC Name [3-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]-1-phenylpropyl] 2-methylpropanoate
Synonyms CHEBI:593941;[3-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]-1-phenylpropyl] 2-methylpropanoate
InChi InChI=1S/C32H39F2N3O2/c1-25(2)32(38)39-31(26-7-4-3-5-8-26)17-20-36-23-21-35(22-24-36)18-6-19-37(29-13-9-27(33)10-14-29)30-15-11-28(34)12-16-30/h3-5,7-16,25,31H,6,17-24H2,1-2H3
InChiKey HNQYTVPEOUBBMB-UHFFFAOYSA-N
Formula C32H39F2N3O2 Molecular Weight 535.67
Cross Link CHEMBL502790
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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