COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL068832
Chemical Name: 2-(4,5,7-tribromo-2-nitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
Smiles: [O-]C(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2c1cc([N+](=O)[O-])c(=O)c2Br)Br)[O-]

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Saltdata: 2Na+
Molecular Weight: 611.98
Empirical Formula: C20H6Br3NO7

Physical State: Dry powder
Available Amount: 179 mg

Lipinsky:
logP: 5.514
Rotatable bonds: 1
H-donors: 0
H-acceptors: 7
PSA: 135
Number of rings: 4

     

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