COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK904183
Chemical Name: (2Z)-3-{1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCC1)c1ccccc1)/S(=O)(=O)c1ccccc1

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Molecular Weight: 544.66
Empirical Formula: C28H24N4O4S2

Physical State: Dry powder
Available Amount: 397 mg

Lipinsky:
logP: 4.61
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 129
Number of rings: 5

     

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