COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK029829
Chemical Name: 2-phenoxyethyl4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: O=C(C1=C(C)NC2=C(C1c1cc(ccc1Cl)[N+](=O)[O-])C(=O)CCC2)OCCOc1ccccc1

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Molecular Weight: 482.92
Empirical Formula: C25H23ClN2O6

Physical State: Dry powder
Available Amount: 185 mg

Lipinsky:
logP: 3.942
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 110
Number of rings: 4

     

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