CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00453177" 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 CFAMM00453177
Family CFFBM19805 Toll-like receptor 7 ligand SureCN2060223 family
Superfamily CFSBM511 Toll-like receptor 7 and Sterol O-acyltransferase 1 Binder Superfamily
Class CFCBM197 Class 3247
External ID CHEMBL1089862 External Source CHEMBL
PubChem CID 46196912 Functional Category Bioactive
Molecule Name AGN-PC-07Q1F9
IUPAC Name methyl 2-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]benzoate
Synonyms CHEBI:721173;methyl 2-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]benzoate
InChi InChI=1S/C18H21N5O4/c1-3-4-9-27-17-21-14(19)13-15(22-17)23(18(25)20-13)10-11-7-5-6-8-12(11)16(24)26-2/h5-8H,3-4,9-10H2,1-2H3,(H,20,25)(H2,19,21,22)
InChiKey ZRRHQWBZDCNYOI-UHFFFAOYSA-N
Formula C18H21N5O4 Molecular Weight 371.39
Cross Link CHEMBL1089862
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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