COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK454849
Chemical Name: (2E)-2-(phenylsulfonyl)-3-(4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(cc1)OCc1cccc(c1)C(F)(F)F)/S(=O)(=O)c1ccccc1

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Molecular Weight: 443.45
Empirical Formula: C23H16F3NO3S

Physical State: Dry powder
Available Amount: 236 mg

Lipinsky:
logP: 5.157
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 75
Number of rings: 3

     

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