CFam Chemical Families Database
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You are searching for "CFAMM00058545" in compound.

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CFAM Mol ID CFAMM00058545
Family CFFAD418 Alpha-1B adrenergic receptor Ligand Lisdexamfetamine Family
Superfamily CFSAD364 Alpha-1B adrenergic receptor Ligand Lisdexamfetamine Superfamily
Class CFCAD342 Class 342
External ID CHEMBL314272 External Source CHEMBL
PubChem CID 44318494 Functional Category Bioactive
Molecule Name tert-butyl N-[(2R)-3-methyl-1-[[3-methyl-1-[[(3R)-3-methyl-5-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]-5-oxo-1-phenylpentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamate
IUPAC Name tert-butyl N-[(2R)-3-methyl-1-[[3-methyl-1-[[(3R)-3-methyl-5-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]-5-oxo-1-phenylpentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamate
Synonyms CHEBI:234796
InChi InChI=1S/C35H59N5O6/c1-21(2)17-18-36-31(42)25(8)37-28(41)19-24(7)27(20-26-15-13-12-14-16-26)38-32(43)29(22(3)4)39-33(44)30(23(5)6)40-34(45)46-35(9,10)11/h12-16,21-25,27,29-30H,17-20H2,1-11H3,(H,36,42)(H,37,41)(H,38,43)(H,39,44)(H,40,45)/t24-,25?,27?,29?,30-/m1/s1
InChiKey YDGPAIMBSACIBH-ARUOENDNSA-N
Formula C35H59N5O6 Molecular Weight 645.87
Cross Link CHEMBL314272
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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