COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK388979
Chemical Name: butane-2,2-diyldibenzene-4,1-diylbis(4-bromo-3-nitrobenzoate)
Smiles: CCC(c1ccc(cc1)OC(=O)c1ccc(c(c1)[N+](=O)[O-])Br)(c1ccc(cc1)OC(=O)c1ccc(c(c1)[N+](=O)[O-])Br)C

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Molecular Weight: 698.32
Empirical Formula: C30H22Br2N2O8

Physical State: Dry powder
Available Amount: 204 mg

Lipinsky:
logP: 9.482
Rotatable bonds: 5
H-donors: 0
H-acceptors: 8
PSA: 144
Number of rings: 4

     

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