COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK332229
Chemical Name: 4,5,6,7-tetrachloro-2-[(2,4-dinitrophenyl)amino]-1H-isoindole-1,3(2H)-dione
Smiles: [O-][N+](=O)c1cc(ccc1NN1C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl)[N+](=O)[O-]

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Molecular Weight: 466.02
Empirical Formula: C14H4Cl4N4O6

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 4.727
Rotatable bonds: 0
H-donors: 1
H-acceptors: 6
PSA: 141
Number of rings: 3

     

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