COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK676130
Chemical Name: 2-[3,5-dimethyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: [O-][N+](=O)c1ccc(cc1)n1nc(c(c1C)n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)[N+](=O)[O-])[N+](=O)[O-])C

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Molecular Weight: 502.4
Empirical Formula: C23H14N6O8

Physical State: Dry powder
Available Amount: 16 mg

Lipinsky:
logP: 3.349
Rotatable bonds: 0
H-donors: 0
H-acceptors: 8
PSA: 192
Number of rings: 5

     

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