COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL022474
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-[4-methoxy-3-(propan-2-yloxy)phenyl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC(C)C)OC)/c1nc2c(s1)cccc2

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Molecular Weight: 350.44
Empirical Formula: C20H18N2O2S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 5.496
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 3

     

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