COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK467309
Chemical Name: (2E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-butoxy-3-ethoxyphenyl)-2-cyanoprop-2-enamide
Smiles: CCCCOc1ccc(cc1OCC)/C=C(/C(=O)NCc1ccc2c(c1)OCO2)\C#N

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Molecular Weight: 422.48
Empirical Formula: C24H26N2O5

Physical State: Dry powder
Available Amount: 66 mg

Lipinsky:
logP: 4.912
Rotatable bonds: 10
H-donors: 1
H-acceptors: 5
PSA: 89
Number of rings: 3

     

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