COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK371816
Chemical Name: cyclohexyl4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])O)C(=O)CC(C2)(C)C)OC1CCCCC1

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Molecular Weight: 454.52
Empirical Formula: C25H30N2O6

Physical State: Dry powder
Available Amount: 156 mg

Lipinsky:
logP: 4.227
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 121
Number of rings: 4

     

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