CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00441282" 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.

Search Results

CFAM Mol ID CFAMM00441282
Family CFFBM17237 Coagulation factor X and Tissue factor inhibitor AGN-PC-02WN8Y family
Superfamily CFSBM1404 Tissue factor and Plasminogen Binder Superfamily
Class CFCID746 Class 2096
External ID CHEMBL507281 External Source CHEMBL
PubChem CID 44592593 Functional Category Bioactive
Molecule Name AGN-PC-077TT5
IUPAC Name 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(4-hydroxybut-1-en-2-yl)phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid
Synonyms substituted biphenyl derivative, 36o;2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(4-hydroxybut-1-en-2-yl)phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid
InChi InChI=1S/C30H32N4O5/c1-17(2)16-33-28(36)21-7-11-24(26(15-21)30(38)39)23-10-6-20(18(3)12-13-35)14-25(23)29(37)34-22-8-4-19(5-9-22)27(31)32/h4-11,14-15,17,35H,3,12-13,16H2,1-2H3,(H3,31,32)(H,33,36)(H,34,37)(H,38,39)
InChiKey BUIUMQPEDCQMFD-UHFFFAOYSA-N
Formula C30H32N4O5 Molecular Weight 528.60
Cross Link CHEMBL507281
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
 

 

27523 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00441282'),None, txtsearch, CFAMM00441282|