COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564650
Chemical Name: methyl(5E)-5-(1-aminoethylidene)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)/C(=C(/N)\C)/C(=O)CC1(C)C

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Molecular Weight: 239.27
Empirical Formula: C12H17NO4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.689
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 86
Number of rings: 1

     

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