COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455132
Chemical Name: (2Z)-3-(3-methoxy-2-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: COc1cccc(c1OC/C=C/c1ccccc1)/C=C(\S(=O)(=O)c1ccccc1)/C#N

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Molecular Weight: 431.51
Empirical Formula: C25H21NO4S

Physical State: Dry powder
Available Amount: 208 mg

Lipinsky:
logP: 5.168
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 84
Number of rings: 3

     

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