COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700301
Chemical Name: methyl(5E)-5-[1-(benzylamino)propylidene]-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)/C(=C(/NCc2ccccc2)\CC)/C(=O)CC1(C)C

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Molecular Weight: 343.42
Empirical Formula: C20H25NO4

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 3.527
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 72
Number of rings: 2

     

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