COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL235105
Chemical Name: dimethyl3,3'-(3,3'-dinitrobiphenyl-4,4'-diyl)bis(2-chloro-2-methylpropanoate)
Smiles: COC(=O)C(Cc1ccc(cc1[N+](=O)[O-])c1ccc(c(c1)[N+](=O)[O-])CC(C(=O)OC)(Cl)C)(Cl)C

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Molecular Weight: 513.33
Empirical Formula: C22H22Cl2N2O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.874
Rotatable bonds: 9
H-donors: 0
H-acceptors: 8
PSA: 144
Number of rings: 2

     

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