COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK044285
Chemical Name: (2E)-3-{3-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-(phenylcarbonyl)prop-2-enenitrile
Smiles: CCOc1cc(ccc1OCc1cccc(c1)C)/C=C(/C(=O)c1ccccc1)\C#N

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Molecular Weight: 397.47
Empirical Formula: C26H23NO3

Physical State: Dry powder
Available Amount: 145 mg

Lipinsky:
logP: 6.139
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 59
Number of rings: 3

     

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