COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK682114
Chemical Name: ethyl4-[(2-methyl-5-nitrophenyl)amino]-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
Smiles: CCOC(=O)C1C(=O)C=C(CC1c1ccccc1)Nc1cc(ccc1C)[N+](=O)[O-]

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Molecular Weight: 394.43
Empirical Formula: C22H22N2O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.64
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 3

     

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