COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK529099
Chemical Name: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enenitrile
Smiles: CCOc1cc(ccc1O)/C=C(\c1scc(n1)c1ccc2c(c1)OCO2)/C#N

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Molecular Weight: 392.44
Empirical Formula: C21H16N2O4S

Physical State: Dry powder
Available Amount: 240 mg

Lipinsky:
logP: 5.074
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 112
Number of rings: 4

     

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