COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL321659
Chemical Name: 3-amino-2-benzyl-4-(1-methyl-1H-benzimidazol-2-yl)-7-nitroisoquinolin-1(2H)-one
Smiles: [O-][N+](=O)c1ccc2c(c1)c(=O)n(c(c2c1nc2c(n1C)cccc2)N)Cc1ccccc1

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Molecular Weight: 425.45
Empirical Formula: C24H19N5O3

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 3.646
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 109
Number of rings: 5

     

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