COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK676181
Chemical Name: 2-{2-[4-(2,4-dinitrophenyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: [O-][N+](=O)c1cc(ccc1N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)[N+](=O)[O-]

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Molecular Weight: 475.46
Empirical Formula: C24H21N5O6

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 4.396
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 135
Number of rings: 5

     

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