COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK799861
Chemical Name: (2Z)-3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cn(nc1c1oc2c(c1)cccc2)c1ccccc1)/S(=O)(=O)c1ccccc1

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Molecular Weight: 451.51
Empirical Formula: C26H17N3O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.641
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 97
Number of rings: 5

     

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