COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK454885
Chemical Name: (2E)-3-{5-chloro-2-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Cl)ccc1OCc1c(F)cccc1Cl)/S(=O)(=O)c1ccccc1

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Molecular Weight: 462.33
Empirical Formula: C22H14Cl2FNO3S

Physical State: Dry powder
Available Amount: 464 mg

Lipinsky:
logP: 5.547
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 75
Number of rings: 3

     

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