COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432807
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)prop-2-enenitrile
Smiles: CCOc1cc(/C=C(/c2nc3c(s2)cccc3)\C#N)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 367.39
Empirical Formula: C18H13N3O4S

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 5.251
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 140
Number of rings: 3

     

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