CFam Chemical Families Database
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You are searching for "CFAMM00213872" in compound.

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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 CFAMM00213872
Family CFFID577 Coagulation factor X Inhibitor YM60828 Family
Superfamily CFSID471 Coagulation factor X Inhibitor YM60828 Superfamily
Class CFCID329 Class 1679
External ID CHEMBL151967 External Source CHEMBL
PubChem CID 44368086 Functional Category Bioactive
Molecule Name AGN-PC-075SRI
IUPAC Name ethyl 2-[[3-(3-carbamimidoylphenyl)phenyl]methyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl]acetate
Synonyms CHEBI:354031;ethyl 2-[[3-(3-carbamimidoylphenyl)phenyl]methyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl]acetate
InChi InChI=1S/C31H37N5O5S/c1-3-40-30(37)21-42(38,39)36(20-23-6-4-7-24(18-23)25-8-5-9-26(19-25)31(33)34)27-10-12-28(13-11-27)41-29-14-16-35(17-15-29)22(2)32/h4-13,18-19,29,32H,3,14-17,20-21H2,1-2H3,(H3,33,34)
InChiKey UJQWCBQYZMZVED-UHFFFAOYSA-N
Formula C31H37N5O5S Molecular Weight 591.72
Cross Link CHEMBL151967
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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