COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK979768
Chemical Name: 3-(methylsulfanyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-phenyl-4H-1,2,4-triazol-4-amine
Smiles: CSc1nnc(n1/N=C/c1cc2OCOc2cc1[N+](=O)[O-])c1ccccc1

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Molecular Weight: 383.39
Empirical Formula: C17H13N5O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.874
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 132
Number of rings: 4

     

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