COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK786111
Chemical Name: 3-amino-7-nitro-4-(phenylcarbonyl)isoquinolin-1(2H)-one
Smiles: O=C(c1c(N)[nH]c(=O)c2c1ccc(c2)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 309.28
Empirical Formula: C16H11N3O4

Physical State: Dry powder
Available Amount: 73 mg

Lipinsky:
logP: 0.875
Rotatable bonds: 1
H-donors: 3
H-acceptors: 4
PSA: 118
Number of rings: 3

     

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