COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK482091
Chemical Name: (2E)-2-{4-methoxy-3-[(2-nitrophenoxy)methyl]benzylidene}-4,4-dimethyl-3-oxopentanenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)COc1ccccc1[N+](=O)[O-])OC)/C(=O)C(C)(C)C

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Molecular Weight: 394.43
Empirical Formula: C22H22N2O5

Physical State: Dry powder
Available Amount: 271 mg

Lipinsky:
logP: 4.165
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 105
Number of rings: 2

     

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