COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL367460
Chemical Name: 1,3-dimethyl-5-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Smiles: [O-][N+](=O)c1cc2c(cc1Sc1nnc(n1C)c1ccccc1)n(c(=O)n2C)C

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Molecular Weight: 396.43
Empirical Formula: C18H16N6O3S

Physical State: Dry powder
Available Amount: 1040 mg

Lipinsky:
logP: 3.789
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 125
Number of rings: 4

     

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