CFam Chemical Families Database
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You are searching for "CFAMM00178050" in compound.

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CFAM Mol ID CFAMM00178050
Family CFFID65 Flovagatran family
Superfamily CFSID50 Cathepsin B and Cathepsin L1 Binder Superfamily
Class CFCAD610 Class 610
External ID CHEMBL276925 External Source CHEMBL
PubChem CID 13384511 Functional Category Bioactive
Molecule Name AGN-PC-00M8CD
IUPAC Name 3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-phenyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]heptanoyl]amino]propanoylamino]-6-methylheptanoic acid
Synonyms CHEBI:116699;3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-phenyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]heptanoyl]amino]propanoylamino]-6-methylheptanoic acid
InChi InChI=1S/C45H61N5O10/c1-28(2)21-34(38(51)25-40(53)46-30(5)42(56)47-35(22-29(3)4)39(52)26-41(54)55)48-43(57)36(23-31-15-9-6-10-16-31)49-44(58)37(24-32-17-11-7-12-18-32)50-45(59)60-27-33-19-13-8-14-20-33/h6-20,28-30,34-39,51-52H,21-27H2,1-5H3,(H,46,53)(H,47,56)(H,48,57)(H,49,58)(H,50,59)(H,54,55)
InChiKey HFNYGDLEULFDOF-UHFFFAOYSA-N
Formula C45H61N5O10 Molecular Weight 831.99
Cross Link CHEMBL276925
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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