CFam Chemical Families Database
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You are searching for "CFAMM00442886" 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 CFAMM00442886
Family CFFBM17497 Prothrombin and Coagulation factor X inhibitor AGN-PC-04SR80 family
Superfamily CFSID1284 Peroxisome proliferator-activated receptor gamma and Peroxisome proliferator-activated receptor alpha Ligand Ragaglitazar Superfamily
Class CFCID846 Class 2196
External ID CHEMBL193150 External Source CHEMBL
PubChem CID 11169784 Functional Category Bioactive
Molecule Name SureCN6474725
IUPAC Name acetic acid;(2S)-2-[[2-benzyl-3-[[4-[(4-carbamimidoylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-3-oxopropanoyl]amino]pentanedioic acid
Synonyms CHEBI:421862
InChi InChI=1S/C31H31N5O8.C2H4O2/c32-28(33)20-8-6-19(7-9-20)16-36-24-12-10-21(15-25(24)44-17-26(36)37)34-29(40)22(14-18-4-2-1-3-5-18)30(41)35-23(31(42)43)11-13-27(38)39;1-2(3)4/h1-10,12,15,22-23H,11,13-14,16-17H2,(H3,32,33)(H,34,40)(H,35,41)(H,38,39)(H,42,43);1H3,(H,3,4)/t22?,23-;/m0./s1
InChiKey VIMAXLCSSPNMKY-AEELKVOVSA-N
Formula C31H31N5O8.C2H4O2 Molecular Weight 661.66
Cross Link CHEMBL193150
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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