COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL316646
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc2c(c1)OCO2)/c1scc(n1)c1ccc(cc1C)C

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Molecular Weight: 360.44
Empirical Formula: C21H16N2O2S

Physical State: Dry powder
Available Amount: 217 mg

Lipinsky:
logP: 6.494
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 4

     

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