COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK788771
Chemical Name: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2,5-dimethoxyphenyl)prop-2-enenitrile
Smiles: COc1ccc(c(c1)/C=C(\c1scc(n1)c1ccc2c(c1)OCO2)/C#N)OC

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Molecular Weight: 392.44
Empirical Formula: C21H16N2O4S

Physical State: Dry powder
Available Amount: 364 mg

Lipinsky:
logP: 5.345
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 101
Number of rings: 4

     

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