COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL298134
Chemical Name: methyl4-[(3-acetylphenyl)amino]-3-butanoyl-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
Smiles: CCCC(=O)C1=C(Nc2cccc(c2)C(=O)C)CC(C(C1=O)C(=O)OC)(C)C

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Molecular Weight: 385.46
Empirical Formula: C22H27NO5

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 3.177
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 89
Number of rings: 2

     

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