COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK667173
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-(2-hydroxy-5-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(ccc1O)[N+](=O)[O-])/c1nc2c(s1)cccc2

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Molecular Weight: 323.33
Empirical Formula: C16H9N3O3S

Physical State: Dry powder
Available Amount: 7 mg

Lipinsky:
logP: 5.066
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 130
Number of rings: 3

     

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