COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK362432
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(3-methoxypropyl)prop-2-enamide
Smiles: COCCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)/C#N

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Molecular Weight: 288.3
Empirical Formula: C15H16N2O4

Physical State: Dry powder
Available Amount: 231 mg

Lipinsky:
logP: 1.45
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 80
Number of rings: 2

     

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