COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK848323
Chemical Name: (4E)-2-(6-methylpyridin-2-yl)-4-{[(2-nitrophenyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: Cc1cccc(n1)N1C(=O)/C(=C/Nc2ccccc2[N+](=O)[O-])/c2c(C1=O)cccc2

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Molecular Weight: 400.39
Empirical Formula: C22H16N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.053
Rotatable bonds: 0
H-donors: 1
H-acceptors: 4
PSA: 108
Number of rings: 4

     

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