CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00451960" 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 CFAMM00451960
Family CFFBM19468 Bifunctional dihydrofolate reductase-thymidylate synthase and Dihydrofolate reductase inhibitor PY856 family
Superfamily CFSBM862 Epidermal growth factor receptor and Dihydrofolate reductase Binder Superfamily
Class CFCCD18 Class 831
External ID CHEMBL88430 External Source CHEMBL
PubChem CID 461917 Functional Category Bioactive
Molecule Name PY856
IUPAC Name 5-chloro-6-[(2,5-dimethoxyanilino)methyl]quinazoline-2,4-diamine
Synonyms AC1LA53I;CHEBI:242511;5-chloro-6-[(2,5-dimethoxyanilino)methyl]quinazoline-2,4-diamine;5-Chloro-6-[(2,5-dimethoxy-phenylamino)-methyl]-quinazoline-2,4-diamine
InChi InChI=1S/C17H18ClN5O2/c1-24-10-4-6-13(25-2)12(7-10)21-8-9-3-5-11-14(15(9)18)16(19)23-17(20)22-11/h3-7,21H,8H2,1-2H3,(H4,19,20,22,23)
InChiKey KEPKKUKRTDFXHZ-UHFFFAOYSA-N
Formula C17H18ClN5O2 Molecular Weight 359.81
Cross Link CHEMBL88430
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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