COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL334158
Chemical Name: methyl(5E)-2,2-dimethyl-5-{[(4-methylphenyl)amino]methylidene}-4,6-dioxocyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)/C(=C/Nc2ccc(cc2)C)/C(=O)CC1(C)C

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Molecular Weight: 315.37
Empirical Formula: C18H21NO4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.366
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 72
Number of rings: 2

     

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