CFam Chemical Families Database
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You are searching for "CFAMM00226146" in compound.

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CFAM Mol ID CFAMM00226146
Family CFFID1048 Beta-secretase 1 Inhibitor N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide Family
Superfamily CFSID855 Beta-secretase 1 and Histone deacetylase 1 Binder Superfamily
Class CFCID600 Class 1950
External ID CHEMBL422440 External Source CHEMBL
PubChem CID 9915812 Functional Category Bioactive
Molecule Name (2S)-N-[4-(benzylamino)-3,4-dioxobutan-2-yl]-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]amino]-N',N'-dimethylbutanediamide
IUPAC Name (2S)-N-[4-(benzylamino)-3,4-dioxobutan-2-yl]-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]amino]-N',N'-dimethylbutanediamide
Synonyms CHEBI:319593;(S)-N1-(2-Benzylcarbamoyl-1-methyl-2-oxoethyl)-2-[(S)-2-(3,3-dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethylsuccinamide
InChi InChI=1S/C29H45N5O6/c1-18(23(37)26(39)30-17-19-13-11-10-12-14-19)31-25(38)20(15-22(36)34(8)9)32-27(40)24(29(5,6)7)33-21(35)16-28(2,3)4/h10-14,18,20,24H,15-17H2,1-9H3,(H,30,39)(H,31,38)(H,32,40)(H,33,35)/t18?,20-,24+/m0/s1
InChiKey KGDZOIVZUWZIME-XYJFARLGSA-N
Formula C29H45N5O6 Molecular Weight 559.70
Cross Link CHEMBL422440
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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