COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL369261
Chemical Name: (5Z)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-3-(pyridin-3-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)Cc2cccnc2)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 403.44
Empirical Formula: C17H13N3O5S2

Physical State: Dry powder
Available Amount: 22 mg

Lipinsky:
logP: 2.136
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 165
Number of rings: 3

     

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