COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK728497
Chemical Name: 5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Smiles: O=c1n(C)c2c(n1C)cc(c(c2)[N+](=O)[O-])/C=C/c1nc(O)c(c(=O)[nH]1)[N+](=O)[O-]

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Molecular Weight: 388.3
Empirical Formula: C15H12N6O7

Physical State: Dry powder
Available Amount: 498 mg

Lipinsky:
logP: -0.72
Rotatable bonds: 3
H-donors: 2
H-acceptors: 7
PSA: 176
Number of rings: 3

     

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