COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL566247
Chemical Name: 2-butanoyl-3-[(2,4-dimethoxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Smiles: CCCC(=O)C1=C(Nc2ccc(cc2OC)OC)CC(CC1=O)(C)C

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Molecular Weight: 345.44
Empirical Formula: C20H27NO4

Physical State: Liquid
Available Amount: 65 mg

Lipinsky:
logP: 2.913
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 2

     

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