COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK454917
Chemical Name: (2E)-3-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: COc1ccc(cc1COc1ccccc1[N+](=O)[O-])/C=C(/S(=O)(=O)c1ccccc1)\C#N

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Molecular Weight: 450.47
Empirical Formula: C23H18N2O6S

Physical State: Dry powder
Available Amount: 453 mg

Lipinsky:
logP: 4.097
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 130
Number of rings: 3

     

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