COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL505045
Chemical Name: N'-{(Z)-[3-nitro-4-(4H-1,2,4-triazol-3-ylsulfanyl)phenyl]methylidene}-1-benzofuran-2-carbohydrazide
Smiles: [O-][N+](=O)c1cc(/C=N\NC(=O)c2cc3c(o2)cccc3)ccc1Sc1nnc[nH]1

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Molecular Weight: 408.4
Empirical Formula: C18H12N6O4S

Physical State: Dry powder
Available Amount: 604 mg

Lipinsky:
logP: 2.948
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 167
Number of rings: 4

     

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