COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK454853
Chemical Name: (2E)-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)Cn1ncc(c1)[N+](=O)[O-])OC)/S(=O)(=O)c1ccccc1

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Molecular Weight: 424.44
Empirical Formula: C20H16N4O5S

Physical State: Dry powder
Available Amount: 391 mg

Lipinsky:
logP: 2.765
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 139
Number of rings: 3

     

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