COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001104
Chemical Name: dimethyl2-{[(2-methyl-3,5-dinitrophenyl)carbonyl]amino}benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(c(c1)NC(=O)c1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

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Molecular Weight: 417.33
Empirical Formula: C18H15N3O9

Physical State: Dry powder
Available Amount: 279 mg

Lipinsky:
logP: 4.565
Rotatable bonds: 5
H-donors: 1
H-acceptors: 9
PSA: 173
Number of rings: 2

     

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