CFam Chemical Families Database
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You are searching for "CFAMM00253344" 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 CFAMM00253344
Family CFFID1882 Androgen receptor Ligand YM-175735 Family
Superfamily CFSAD230 dopamine receptor ligand diphenylbutylpiperidine derivative Pimozide Fluspirilene Superfamily
Class CFCAD220 Class 220
External ID CHEMBL422777 External Source CHEMBL
PubChem CID 11049100 Functional Category Bioactive
Molecule Name 6-(3-ethyl-4-methylanilino)-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-pyrimidine-2,4-dione
IUPAC Name 6-(3-ethyl-4-methylanilino)-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-pyrimidine-2,4-dione
Synonyms CHEBI:249609
InChi InChI=1S/C27H34FN5O2/c1-3-21-18-23(9-6-20(21)2)29-25-19-26(34)33(27(35)30-25)13-5-4-12-31-14-16-32(17-15-31)24-10-7-22(28)8-11-24/h6-11,18-19,29H,3-5,12-17H2,1-2H3,(H,30,35)
InChiKey IATHLVLOUBBAJT-UHFFFAOYSA-N
Formula C27H34FN5O2 Molecular Weight 479.59
Cross Link CHEMBL422777
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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