COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158395
Chemical Name: ethyl(5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc3OCOc3cc2[N+](=O)[O-])/C1=O

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Molecular Weight: 440.43
Empirical Formula: C21H16N2O7S

Physical State: Dry powder
Available Amount: 145 mg

Lipinsky:
logP: 4.9
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 144
Number of rings: 4

     

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