COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL169869
Chemical Name: (2Z,5Z)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one
Smiles: CCc1ccccc1N1/C(=N/c2ccccc2CC)/S/C(=C\c2cc3OCOc3cc2[N+](=O)[O-])/C1=O

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Molecular Weight: 501.56
Empirical Formula: C27H23N3O5S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 8.259
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 122
Number of rings: 5

     

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