COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL436607
Chemical Name: cyano(isoquinolinium-2-yl)[(2-nitrophenyl)carbamoyl]methanide
Smiles: N#C[C-]([n+]1ccc2c(c1)cccc2)C(=O)Nc1ccccc1[N+](=O)[O-]

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Molecular Weight: 332.32
Empirical Formula: C18H12N4O3

Available Amount: 0 mg

Lipinsky:
logP: -0.935
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 107
Number of rings: 3

     

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