COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK833956
Chemical Name: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-butoxyphenyl)prop-2-enenitrile
Smiles: CCCCOc1ccc(cc1)/C=C(\c1scc(n1)c1ccc2c(c1)OCO2)/C#N

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Molecular Weight: 404.49
Empirical Formula: C23H20N2O3S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 6.853
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 92
Number of rings: 4

     

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