COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK404503
Chemical Name: 3-benzyl6-methyl2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Smiles: COC(=O)C1C(C)CC2=C(C1=O)C(c1cccc(c1)[N+](=O)[O-])C(=C(N2)C)C(=O)OCc1ccccc1

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Molecular Weight: 490.51
Empirical Formula: C27H26N2O7

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.33
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 127
Number of rings: 4

     

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