COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK134594
Chemical Name: 5-(4-methoxyphenyl)-2-{[(4-nitrophenyl)amino]methylidene}cyclohexane-1,3-dione
Smiles: COc1ccc(cc1)C1CC(=O)/C(=C/Nc2ccc(cc2)[N+](=O)[O-])/C(=O)C1

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Molecular Weight: 366.37
Empirical Formula: C20H18N2O5

Physical State: Dry powder
Available Amount: 466 mg

Lipinsky:
logP: 2.714
Rotatable bonds: 0
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 3

     

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