COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455277
Chemical Name: (2E)-3-{2-[(2-chloro-4-fluorobenzyl)oxy]-3-methoxyphenyl}-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cccc(c1OCc1ccc(cc1Cl)F)OC)/S(=O)(=O)c1ccccc1

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Molecular Weight: 457.91
Empirical Formula: C23H17ClFNO4S

Physical State: Dry powder
Available Amount: 78 mg

Lipinsky:
logP: 4.733
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 84
Number of rings: 3

     

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