CFam Chemical Families Database
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You are searching for "CFAMM00421672" in compound.

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CFAM Mol ID CFAMM00421672
Family CFFBM13298 D(2) dopamine receptor and 5-hydroxytryptamine receptor 1A ligand AGN-PC-046V8G family
Superfamily CFSBM2933 D(2) dopamine receptor and Alpha-1D adrenergic receptor Binder Superfamily
Class CFCAD110 Class 110
External ID CHEMBL260804 External Source CHEMBL
PubChem CID 44452139 Functional Category Bioactive
Molecule Name N-[[6-fluoro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]methyl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide
IUPAC Name N-[[6-fluoro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]methyl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide
Synonyms AGN-PC-076DMP;N-[[6-fluoro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]methyl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide
InChi InChI=1S/C31H34FN5O4/c1-40-24-8-5-7-23(20-24)37-29(34-26-13-12-22(32)19-25(26)31(37)39)21-33-30(38)11-6-14-35-15-17-36(18-16-35)27-9-3-4-10-28(27)41-2/h3-5,7-10,12-13,19-20H,6,11,14-18,21H2,1-2H3,(H,33,38)
InChiKey DHNJJWILPRYUES-UHFFFAOYSA-N
Formula C31H34FN5O4 Molecular Weight 559.63
Cross Link CHEMBL260804
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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