CFam Chemical Families Database
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You are searching for "CFAMM00253224" 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 CFAMM00253224
Family CFFID1882 Androgen receptor Ligand YM-175735 Family
Superfamily CFSAD230 dopamine receptor ligand diphenylbutylpiperidine derivative Pimozide Fluspirilene Superfamily
Class CFCAD220 Class 220
External ID CHEMBL191409 External Source CHEMBL
PubChem CID 11376081 Functional Category Bioactive
Molecule Name AGN-PC-007V0I
IUPAC Name 1-[4-(3-cyanophenyl)phenyl]-1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
Synonyms CHEBI:416423;1-[4-(3-cyanophenyl)phenyl]-1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
InChi InChI=1S/C30H28F4N4O/c31-28-11-8-24(17-27(28)30(32,33)34)36-29(39)38(26-12-14-37(15-13-26)19-20-4-5-20)25-9-6-22(7-10-25)23-3-1-2-21(16-23)18-35/h1-3,6-11,16-17,20,26H,4-5,12-15,19H2,(H,36,39)
InChiKey GRQMCEOLOUOYLX-UHFFFAOYSA-N
Formula C30H28F4N4O Molecular Weight 536.56
Cross Link CHEMBL191409
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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