COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL023248
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-(2-hydroxy-7-methoxyquinolin-3-yl)prop-2-enenitrile
Smiles: COc1ccc2c(c1)nc(c(c2)/C=C(/c1nc2c(s1)cccc2)\C#N)O

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Molecular Weight: 359.41
Empirical Formula: C20H13N3O2S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 5.525
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 107
Number of rings: 4

     

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