CFam Chemical Families Database
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You are searching for "CFAMM00263165" 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 CFAMM00263165
Family CFFID2248 Beta-secretase 1 and Cathepsin D Inhibitor GRL-7234 Family
Superfamily CFSID1654 Beta-secretase 1 and Cathepsin D Inhibitor GRL-7234 Superfamily
Class CFCID1049 Class 2399
External ID CHEMBL1076902 External Source CHEMBL
PubChem CID 45277565 Functional Category Bioactive
Molecule Name 3ixk
IUPAC Name 3-N-[(2S,3S,5R)-6-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-oxohexan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
Synonyms CHEBI:714434;N-[(2s,3s,5r)-1-[(3,5-Difluorophenyl)methoxy]-3-Hydroxy-5-Methyl-6-[[(2s)-3-Methyl-1-Oxo-1-(Phenylmethylamino)butan-2-Yl]amino]-6-Oxo-Hexan-2-Yl]-5-(Methyl-Methylsulfonyl-Amino)-N'-[(1r)-1-Phenylethyl]benzene-1,3-Dicarboxamide
InChi InChI=1S/C44H53F2N5O8S/c1-27(2)40(44(56)47-24-30-13-9-7-10-14-30)50-41(53)28(3)17-39(52)38(26-59-25-31-18-35(45)23-36(46)19-31)49-43(55)34-20-33(21-37(22-34)51(5)60(6,57)58)42(54)48-29(4)32-15-11-8-12-16-32/h7-16,18-23,27-29,38-40,52H,17,24-26H2,1-6H3,(H,47,56)(H,48,54)(H,49,55)(H,50,53)/t28-,29-,38+,39+,40+/m1/s1
InChiKey SQCCLROLILAOBD-MLLWAOEYSA-N
Formula C44H53F2N5O8S Molecular Weight 849.98
Cross Link CHEMBL1076902
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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National University of Singapore, Singapore


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