COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL122473
Chemical Name: 2-{[5-(1-benzofuran-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])CSc1nnc(n1C(C)C)c1cc2c(o1)cccc2

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Molecular Weight: 422.46
Empirical Formula: C21H18N4O4S

Physical State: Dry powder
Available Amount: 188 mg

Lipinsky:
logP: 5.129
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 132
Number of rings: 4

     

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