CFam Chemical Families Database
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You are searching for "CFAMM00186642" 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 CFAMM00186642
Family CFFID293 Prothrombin Inhibitor Efegatran Family
Superfamily CFSID21 Prothrombin and Neuromedin-K receptor Binder Superfamily
Class CFCID12 Class 1362
External ID CHEMBL319227 External Source CHEMBL
PubChem CID 44333168 Functional Category Bioactive
Molecule Name AGN-PC-074TST
IUPAC Name N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-(2-oxo-4-phenylbutanoyl)pyrrolidine-2-carboxamide
Synonyms CHEBI:267988;N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-(2-oxo-4-phenylbutanoyl)pyrrolidine-2-carboxamide
InChi InChI=1S/C21H29N5O4/c22-21(23)24-12-4-8-16(14-27)25-19(29)17-9-5-13-26(17)20(30)18(28)11-10-15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2,(H,25,29)(H4,22,23,24)
InChiKey KLXDWSBPQXNVAQ-UHFFFAOYSA-N
Formula C21H29N5O4 Molecular Weight 415.49
Cross Link CHEMBL319227
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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