COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK454920
Chemical Name: (2Z)-3-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: COc1ccc(cc1COc1c(C)cccc1C)/C=C(\S(=O)(=O)c1ccccc1)/C#N

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Molecular Weight: 433.53
Empirical Formula: C25H23NO4S

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 5.421
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 84
Number of rings: 3

     

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