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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