COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK296005
Chemical Name: 2,2'-[(1-phenylethane-1,1-diyl)bis(benzene-4,1-diyloxybenzene-4,1-diyl)]bis(5-nitro-1H-isoindole-1,3(2H)-dione)
Smiles: O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)Oc1ccc(cc1)C(c1ccc(cc1)Oc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-])(c1ccccc1)C)[N+](=O)[O-]

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Molecular Weight: 822.79
Empirical Formula: C48H30N4O10

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 9.845
Rotatable bonds: 0
H-donors: 0
H-acceptors: 10
PSA: 184
Number of rings: 9

     

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