COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK071419
Chemical Name: (1E)-1-[(2-methoxy-4-nitrophenyl)amino]-4,4-dimethylpent-1-en-3-one
Smiles: COc1cc(ccc1N/C=C/C(=O)C(C)(C)C)[N+](=O)[O-]

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Molecular Weight: 278.31
Empirical Formula: C14H18N2O4

Physical State: Dry powder
Available Amount: 152 mg

Lipinsky:
logP: 2.96
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 84
Number of rings: 1

     

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