COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL484945
Chemical Name: methyl4-(benzylamino)-3-butanoyl-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
Smiles: CCCC(=O)C1=C(NCc2ccccc2)CC(C(C1=O)C(=O)OC)(C)C

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Molecular Weight: 357.45
Empirical Formula: C21H27NO4

Physical State: Dry powder
Available Amount: 133 mg

Lipinsky:
logP: 3.918
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 72
Number of rings: 2

     

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