CFam Chemical Families Database
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You are searching for "CFAMM00111090" 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 CFAMM00111090
Family CFFAD884 Histamine H1 receptor Ligand Mizolastine Family
Superfamily CFSAD743 Histamine H1 receptor Ligand Mizolastine Superfamily
Class CFCAD667 Class 667
External ID CHEMBL26081 External Source CHEMBL
PubChem CID 11213871 Functional Category Bioactive
Molecule Name AGN-PC-004IAY
IUPAC Name 5-benzyl-4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]pyrido[2,3]pyrrolo[2,4-d]pyrimidine
Synonyms CHEBI:137350;5-benzyl-4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]pyrido[2,3]pyrrolo[2,4-d]pyrimidine
InChi InChI=1S/C28H26F2N6/c29-23-7-6-20(16-24(23)30)9-11-34-12-14-35(15-13-34)28-27-26(32-19-33-28)22-17-31-10-8-25(22)36(27)18-21-4-2-1-3-5-21/h1-8,10,16-17,19H,9,11-15,18H2
InChiKey HQAXHHVZNNOKSS-UHFFFAOYSA-N
Formula C28H26F2N6 Molecular Weight 484.54
Cross Link CHEMBL26081
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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