CFam Chemical Families Database
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You are searching for "CFAMM00327847" in compound.

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CFAM Mol ID CFAMM00327847
Family CFFBM1826 5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine receptor 3B ligand 3-amino-5,6-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one family
Superfamily CFSBM912 5-hydroxytryptamine receptor 1A and Cruzipain Binder Superfamily
Class CFCBM81 Class 3131
External ID CHEMBL1277558 External Source CHEMBL
PubChem CID 49837354 Functional Category Bioactive
Molecule Name AGN-PC-088F8B
IUPAC Name 7-acetyl-3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-one
Synonyms CHEBI:813536;7-acetyl-3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-one
InChi InChI=1S/C27H31N7O2S2/c1-18(35)33-11-9-20-22(17-33)38-25-24(20)26(36)34(28)27(30-25)37-16-4-10-31-12-14-32(15-13-31)23-8-7-19-5-2-3-6-21(19)29-23/h2-3,5-8H,4,9-17,28H2,1H3
InChiKey OMACXBJTMXFHCQ-UHFFFAOYSA-N
Formula C27H31N7O2S2 Molecular Weight 549.71
Cross Link CHEMBL1277558
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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