CFam Chemical Families Database
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You are searching for "CFAMM00159099" 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 CFAMM00159099
Family CFFCD464 5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Ligand PD-158771 Family
Superfamily CFSCD424 5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Ligand PD-158771 Superfamily
Class CFCCD305 Class 1118
External ID CHEMBL251860 External Source CHEMBL
PubChem CID 11585287 Functional Category Bioactive
Molecule Name Pyridopyrimidine, 12b
IUPAC Name 3-(4-methylpiperazin-1-yl)-N-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]propan-1-amine
Synonyms AGN-PC-00C3VW;SureCN2898522;3-(4-methylpiperazin-1-yl)-N-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]propan-1-amine
InChi InChI=1S/C29H34N6S/c1-34-15-17-35(18-16-34)14-6-13-30-20-22-9-11-24(12-10-22)27-26(23-7-4-3-5-8-23)19-25-21-31-29(36-2)33-28(25)32-27/h3-5,7-12,19,21,30H,6,13-18,20H2,1-2H3
InChiKey XAWKMEQMBAPUEE-UHFFFAOYSA-N
Formula C29H34N6S Molecular Weight 498.69
Cross Link CHEMBL251860
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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