COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL563373
Chemical Name: methyl(5E)-5-{1-[(2-hydroxyethyl)amino]pentylidene}-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Smiles: CCCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/NCCO

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Molecular Weight: 325.41
Empirical Formula: C17H27NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.431
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 92
Number of rings: 1

     

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