CFam Chemical Families Database
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You are searching for "CFAMM00225925" in compound.

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CFAM Mol ID CFAMM00225925
Family CFFID1044 Beta-secretase 1 Inhibitor MMI-175 Family
Superfamily CFSCD52 Puromycin-sensitive aminopeptidase Inhibitor CHR-2797 Superfamily
Class CFCCD46 Class 859
External ID CHEMBL59183 External Source CHEMBL
PubChem CID 44302156 Functional Category Bioactive
Molecule Name ethyl N-[1-[[1-[[(2S,3S)-1-cyclohexyl-5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]-3-hydroxyhex-5-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
IUPAC Name ethyl N-[1-[[1-[[(2S,3S)-1-cyclohexyl-5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]-3-hydroxyhex-5-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Synonyms CHEBI:193156
InChi InChI=1S/C38H63N5O6/c1-9-49-37(48)42-32(23-29-18-14-11-15-19-29)36(47)41-31(20-26(2)3)35(46)40-30(22-28-16-12-10-13-17-28)33(44)21-27(4)34(45)39-24-38(5,6)25-43(7)8/h11,14-15,18-19,26,28,30-33,44H,4,9-10,12-13,16-17,20-25H2,1-3,5-8H3,(H,39,45)(H,40,46)(H,41,47)(H,42,48)/t30-,31?,32?,33-/m0/s1
InChiKey PNWUSFUTLVMXME-KTCSKQAYSA-N
Formula C38H63N5O6 Molecular Weight 685.94
Cross Link CHEMBL59183
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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