COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK531557
Chemical Name: cyclopentane-1,1-diyldibenzene-4,1-diylbis(3-nitrobenzoate)
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])Oc1ccc(cc1)C1(CCCC1)c1ccc(cc1)OC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 552.54
Empirical Formula: C31H24N2O8

Physical State: Dry powder
Available Amount: 250 mg

Lipinsky:
logP: 8.009
Rotatable bonds: 4
H-donors: 0
H-acceptors: 8
PSA: 144
Number of rings: 5

     

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