COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL173719
Chemical Name: methyl4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1cc(F)ccc1[N+](=O)[O-])OC)C(=O)CC(C2)(C)C

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Molecular Weight: 524.55
Empirical Formula: C28H29FN2O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.66
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 119
Number of rings: 4

     

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