CFam Chemical Families Database
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You are searching for "CFAMM00111325" 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 CFAMM00111325
Family CFFAD884 Histamine H1 receptor Ligand Mizolastine Family
Superfamily CFSAD743 Histamine H1 receptor Ligand Mizolastine Superfamily
Class CFCAD667 Class 667
External ID CHEMBL95521 External Source CHEMBL
PubChem CID 44328970 Functional Category Bioactive
Molecule Name AGN-PC-074RDE
IUPAC Name 4-[5-(4-fluorophenyl)-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazol-4-yl]pyrimidin-2-amine
Synonyms SureCN7610170;CHEBI:258326;4-[5-(4-fluorophenyl)-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazol-4-yl]pyrimidin-2-amine
InChi InChI=1S/C20H20F4N6/c21-14-3-1-13(2-4-14)17-18(16-5-8-26-19(25)28-16)30(12-27-17)15-6-9-29(10-7-15)11-20(22,23)24/h1-5,8,12,15H,6-7,9-11H2,(H2,25,26,28)
InChiKey ZOLVPLVVVCAWCK-UHFFFAOYSA-N
Formula C20H20F4N6 Molecular Weight 420.41
Cross Link CHEMBL95521
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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