COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK833879
Chemical Name: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2,4-diethoxyphenyl)prop-2-enenitrile
Smiles: CCOc1cc(OCC)ccc1/C=C(\c1scc(n1)c1ccc2c(c1)OCO2)/C#N

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Molecular Weight: 420.49
Empirical Formula: C23H20N2O4S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 6.208
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 101
Number of rings: 4

     

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