COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473612
Chemical Name: (2E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-{3-ethoxy-4-[(4-methylbenzyl)oxy]phenyl}prop-2-enamide
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)C)/C=C(/C(=O)NCc1ccc2c(c1)OCO2)\C#N

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Molecular Weight: 470.52
Empirical Formula: C28H26N2O5

Physical State: Dry powder
Available Amount: 228 mg

Lipinsky:
logP: 5.433
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 89
Number of rings: 4

     

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