COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL297613
Chemical Name: methyl3-butanoyl-4-[(2,4-dichlorophenyl)amino]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
Smiles: CCCC(=O)C1=C(Nc2ccc(cc2Cl)Cl)CC(C(C1=O)C(=O)OC)(C)C

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Molecular Weight: 412.31
Empirical Formula: C20H23Cl2NO4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.891
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 72
Number of rings: 2

     

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