CFam Chemical Families Database
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You are searching for "CFAMM00399109" in compound.

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CFAM Mol ID CFAMM00399109
Family CFFBM10029 Vascular endothelial growth factor receptor 2 ligand AGN-PC-00CIUI family
Superfamily CFSAD219 Alpha-1D adrenergic receptor Ligand Terazosin Superfamily
Class CFCAD211 Class 211
External ID CHEMBL2113171 External Source CHEMBL
PubChem CID 11569270 Functional Category Bioactive
Molecule Name AGN-PC-00BS4W
IUPAC Name 3-chloro-2-(1,3-difluoropropan-2-yloxy)-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione
Synonyms SureCN5651067;CHEBI:432338;3-chloro-2-(1,3-difluoropropan-2-yloxy)-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione
InChi InChI=1S/C21H20ClF2N3O6/c1-30-3-4-32-17-7-13-12(5-16(17)31-2)21(26-10-25-13)27-14-6-15(28)20(18(22)19(14)29)33-11(8-23)9-24/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,25,26,27)
InChiKey GVKMWIQIPNJGDT-UHFFFAOYSA-N
Formula C21H20ClF2N3O6 Molecular Weight 483.85
Cross Link CHEMBL2113171
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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