CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00179515" 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 CFAMM00179515
Family CFFID77 5-hydroxytryptamine receptor 1A Ligand (s)-way 100135 Family
Superfamily CFSID61 5-hydroxytryptamine receptor 1A Ligand (s)-way 100135 Superfamily
Class CFCID39 Class 1389
External ID CHEMBL111302 External Source CHEMBL
PubChem CID 19066162 Functional Category Bioactive
Molecule Name SureCN8694602
IUPAC Name (E)-but-2-enedioic acid;4-(2,6-dimethylphenyl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
Synonyms CHEBI:278086
InChi InChI=1S/C25H35N5O2.C4H4O4/c1-19-6-5-7-20(2)24(19)29-14-16-30(17-15-29)25(31)26-21-8-9-23(32-4)22(18-21)28-12-10-27(3)11-13-28;5-3(6)1-2-4(7)8/h5-9,18H,10-17H2,1-4H3,(H,26,31);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChiKey GSXITRJJYMGHDZ-WLHGVMLRSA-N
Formula C25H35N5O2.C4H4O4 Molecular Weight 553.65
Cross Link CHEMBL111302
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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