CFam Chemical Families Database
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You are searching for "CFAMM00451709" 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 CFAMM00451709
Family CFFBM19403 Integrin beta-3 and Integrin alpha-IIb inhibitor AGN-PC-074LOQ family
Superfamily CFSBM7152 Integrin beta-3 and Integrin alpha-IIb Binder Superfamily 21
Class CFCAD216 Class 216
External ID CHEMBL87853 External Source CHEMBL
PubChem CID 15483871 Functional Category Bioactive
Molecule Name AGN-PC-00PEIL
IUPAC Name 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-3-phenylpropanoic acid
Synonyms CHEBI:237377;3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-3-phenylpropanoic acid
InChi InChI=1S/C26H25N3O4/c27-25(28)19-8-6-17(7-9-19)16-33-21-10-11-22-20(14-21)12-13-29(26(22)32)23(15-24(30)31)18-4-2-1-3-5-18/h1-11,14,23H,12-13,15-16H2,(H3,27,28)(H,30,31)
InChiKey LJTHACNOIKFRMZ-UHFFFAOYSA-N
Formula C26H25N3O4 Molecular Weight 443.49
Cross Link CHEMBL87853
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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