CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00102882" 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 CFAMM00102882
Family CFFAD804 Prothrombin Inhibitor Ximelagatran Family
Superfamily CFSAD673 Prothrombin Inhibitor Ximelagatran Superfamily
Class CFCAD608 Class 608
External ID 54183570 External Source PubChem
PubChem CID 54183570 Functional Category Patent Compound
Molecule Name SureCN7428388
IUPAC Name (3S)-3-amino-4-[5-(4-carbamimidoylphenyl)pentanoyl-[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
Synonyms
InChi InChI=1S/C25H30N4O6/c26-19(15-22(31)32)24(33)29(20(25(34)35)14-17-7-2-1-3-8-17)21(30)9-5-4-6-16-10-12-18(13-11-16)23(27)28/h1-3,7-8,10-13,19-20H,4-6,9,14-15,26H2,(H3,27,28)(H,31,32)(H,34,35)/t19-,20-/m0/s1
InChiKey PDOBANDWMALNEQ-PMACEKPBSA-N
Formula C25H30N4O6 Molecular Weight 482.53
Cross Link
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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