CFam Chemical Families Database
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You are searching for "CFAMM00045994" 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 CFAMM00045994
Family CFFAD275 Histamine H1 receptor ligand piperazine derivative Cyclizine Family
Superfamily CFSAD116 calcium channel, Histamine H1 receptor, nuclear receptor binding piperazine derivative Flunarizine Cyclizine Meclizine Superfamily
Class CFCAD115 Class 115
External ID CHEMBL155458 External Source CHEMBL
PubChem CID 44370199 Functional Category Bioactive
Molecule Name AGN-PC-075TX9
IUPAC Name oxalic acid;2'-propylspiro[1,2-dihydroindene-3,3'-1H-isoindole]
Synonyms CHEBI:358579;oxalic acid;2'-propylspiro[1,2-dihydroindene-3,3'-1H-isoindole]
InChi InChI=1S/C19H21N.C2H2O4/c1-2-13-20-14-16-8-4-6-10-18(16)19(20)12-11-15-7-3-5-9-17(15)19;3-1(4)2(5)6/h3-10H,2,11-14H2,1H3;(H,3,4)(H,5,6)
InChiKey XNUYUTBJCLFPAY-UHFFFAOYSA-N
Formula C19H21N.C2H2O4 Molecular Weight 353.41
Cross Link CHEMBL155458
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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