COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK454856
Chemical Name: (2E)-3-{4-methoxy-3-[(quinolin-8-yloxy)methyl]phenyl}-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: COc1ccc(cc1COc1cccc2c1nccc2)/C=C(/S(=O)(=O)c1ccccc1)\C#N

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Molecular Weight: 456.52
Empirical Formula: C26H20N2O4S

Physical State: Dry powder
Available Amount: 485 mg

Lipinsky:
logP: 4.207
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 97
Number of rings: 4

     

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