CFam Chemical Families Database
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You are searching for "CFAMM00384528" in compound.

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CFAM Mol ID CFAMM00384528
Family CFFBM7974 Vasopressin V1b receptor ligand AGN-PC-00HJ2S family
Superfamily CFSBM159 Vasopressin V1b receptor and Beta-secretase 1 Binder Superfamily
Class CFCID107 Class 1457
External ID CHEMBL435437 External Source CHEMBL
PubChem CID 44369052 Functional Category Bioactive
Molecule Name AGN-PC-075TAC
IUPAC Name 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-naphthalen-2-ylquinazolin-4-one
Synonyms CHEBI:356083;3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-naphthalen-2-ylquinazolin-4-one
InChi InChI=1S/C31H29N3O3/c1-36-28-18-23-13-14-33(20-25(23)19-29(28)37-2)15-16-34-30(32-27-10-6-5-9-26(27)31(34)35)24-12-11-21-7-3-4-8-22(21)17-24/h3-12,17-19H,13-16,20H2,1-2H3
InChiKey TYAZKPZMWXPZFC-UHFFFAOYSA-N
Formula C31H29N3O3 Molecular Weight 491.58
Cross Link CHEMBL435437
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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