COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455078
Chemical Name: (2E)-3-{5-bromo-2-[(3-methoxybenzyl)oxy]phenyl}-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Br)ccc1OCc1cccc(c1)OC)/S(=O)(=O)c1ccccc1

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Molecular Weight: 484.37
Empirical Formula: C23H18BrNO4S

Physical State: Dry powder
Available Amount: 75 mg

Lipinsky:
logP: 5.653
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 84
Number of rings: 3

     

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