CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00042835" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00042835
Family CFFAD244 Alpha-1D adrenergic receptor Ligand Terazosin Family
Superfamily CFSAD219 Alpha-1D adrenergic receptor Ligand Terazosin Superfamily
Class CFCAD211 Class 211
External ID CHEMBL447227 External Source CHEMBL
PubChem CID 14423393 Functional Category Bioactive
Molecule Name AGN-PC-001DV7
IUPAC Name [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-iodo-4-isothiocyanatophenyl)methanone
Synonyms [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-iodo-4-isothiocyanatophenyl)methanone
InChi InChI=1S/C22H21IN6O3S/c1-31-18-10-14-17(11-19(18)32-2)26-22(27-20(14)24)29-7-5-28(6-8-29)21(30)13-3-4-16(25-12-33)15(23)9-13/h3-4,9-11H,5-8H2,1-2H3,(H2,24,26,27)
InChiKey CZNDELGMGXKRTL-UHFFFAOYSA-N
Formula C22H21IN6O3S Molecular Weight 576.41
Cross Link CHEMBL447227
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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