COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL297491
Chemical Name: methyl3-butanoyl-4-[(4-methoxyphenyl)amino]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
Smiles: CCCC(=O)C1=C(Nc2ccc(cc2)OC)CC(C(C1=O)C(=O)OC)(C)C

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Molecular Weight: 373.45
Empirical Formula: C21H27NO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.329
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 81
Number of rings: 2

     

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