COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK772036
Chemical Name: methyl4-{2-[(2-methoxyphenyl)amino]-4,4-dimethyl-6-oxocyclohex-1-en-1-yl}-4-oxobutanoate
Smiles: COC(=O)CCC(=O)C1=C(Nc2ccccc2OC)CC(CC1=O)(C)C

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Molecular Weight: 359.42
Empirical Formula: C20H25NO5

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 2.459
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 81
Number of rings: 2

     

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