CFam Chemical Families Database
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You are searching for "CFAMM00253294" in compound.

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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 CFAMM00253294
Family CFFID1882 Androgen receptor Ligand YM-175735 Family
Superfamily CFSAD230 dopamine receptor ligand diphenylbutylpiperidine derivative Pimozide Fluspirilene Superfamily
Class CFCAD220 Class 220
External ID 19012136 External Source PubChem
PubChem CID 19012136 Functional Category Patent Compound
Molecule Name SureCN9429447
IUPAC Name 4-[3-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propyl-ethylamino]propylamino]-2-(trifluoromethyl)benzonitrile
Synonyms
InChi InChI=1S/C22H29F3N6O2/c1-4-31(12-6-10-28-19-14-20(32)30(3)21(33)29(19)2)11-5-9-27-17-8-7-16(15-26)18(13-17)22(23,24)25/h7-8,13-14,27-28H,4-6,9-12H2,1-3H3
InChiKey BDHTXZGREHEOTF-UHFFFAOYSA-N
Formula C22H29F3N6O2 Molecular Weight 466.50
Cross Link
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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