COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK085879
Chemical Name: dimethyl2,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Smiles: COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)C(C(C2)C)C(=O)OC

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Molecular Weight: 414.41
Empirical Formula: C21H22N2O7

Physical State: Dry powder
Available Amount: 236 mg

Lipinsky:
logP: 1.854
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 127
Number of rings: 3

     

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