COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL329249
Chemical Name: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-chloroquinolin-3-yl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cc2ccccc2nc1Cl)/c1scc(n1)c1ccc2c(c1)OCO2

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Molecular Weight: 417.88
Empirical Formula: C22H12ClN3O2S

Physical State: Dry powder
Available Amount: 218 mg

Lipinsky:
logP: 5.589
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 96
Number of rings: 5

     

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