COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK516718
Chemical Name: (2Z)-2-(1,3-benzothiazol-2-yl)-3-{3-[4-(ethylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Smiles: N#C/C(=C/c1cn(nc1c1ccc(cc1)S(=O)(=O)CC)c1ccccc1)/c1nc2c(s1)cccc2

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Molecular Weight: 496.61
Empirical Formula: C27H20N4O2S2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 5.548
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 125
Number of rings: 5

     

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