COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK073711
Chemical Name: 2-phenoxyethyl2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: O=C(C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)C)OCCOc1ccccc1

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Molecular Weight: 476.53
Empirical Formula: C27H28N2O6

Physical State: Dry powder
Available Amount: 189 mg

Lipinsky:
logP: 4.324
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 110
Number of rings: 4

     

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