COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK388958
Chemical Name: propane-2,2-diylbis-2-methylbenzene-4,1-diylbis(2,4-dinitrobenzoate)
Smiles: Cc1cc(ccc1OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(c1ccc(c(c1)C)OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(C)C

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Molecular Weight: 644.55
Empirical Formula: C31H24N4O12

Physical State: Dry powder
Available Amount: 174 mg

Lipinsky:
logP: 7.36
Rotatable bonds: 8
H-donors: 0
H-acceptors: 12
PSA: 235
Number of rings: 4

     

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