COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL173107
Chemical Name: dimethyl5-{[2-(4-methyl-2-nitrophenoxy)propanoyl]amino}benzene-1,3-dicarboxylate
Smiles: COC(=O)c1cc(NC(=O)C(Oc2ccc(cc2[N+](=O)[O-])C)C)cc(c1)C(=O)OC

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Molecular Weight: 416.39
Empirical Formula: C20H20N2O8

Physical State: Dry powder
Available Amount: 33 mg

Lipinsky:
logP: 4.163
Rotatable bonds: 7
H-donors: 1
H-acceptors: 8
PSA: 136
Number of rings: 2

     

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