COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL330898
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(OC)c(c(c1)OC)O)/c1nc2c(s1)cccc2

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Molecular Weight: 338.39
Empirical Formula: C18H14N2O3S

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 3.663
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 3

     

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