COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK454887
Chemical Name: (2Z)-3-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)COc1ccc(c(c1)Cl)F)OC)/S(=O)(=O)c1ccccc1

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Molecular Weight: 457.91
Empirical Formula: C23H17ClFNO4S

Physical State: Dry powder
Available Amount: 612 mg

Lipinsky:
logP: 5.563
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 84
Number of rings: 3

     

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