COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001521
Chemical Name: ethyl(5Z)-2-[(4-chlorophenyl)amino]-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C\c2cc3OCOc3cc2[N+](=O)[O-])/C1=O

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Molecular Weight: 474.88
Empirical Formula: C21H15ClN2O7S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 5.89
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 144
Number of rings: 4

     

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