COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455276
Chemical Name: (2E)-3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: COc1cc(ccc1OCc1ccccc1Cl)/C=C(/S(=O)(=O)c1ccccc1)\C#N

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Molecular Weight: 439.92
Empirical Formula: C23H18ClNO4S

Physical State: Dry powder
Available Amount: 280 mg

Lipinsky:
logP: 5.062
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 84
Number of rings: 3

     

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