COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK061091
Chemical Name: 2-phenylethyl7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1[N+](=O)[O-])C(=O)OCCc1ccccc1)C

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Molecular Weight: 582.61
Empirical Formula: C33H30N2O8

Physical State: Dry powder
Available Amount: 191 mg

Lipinsky:
logP: 5.417
Rotatable bonds: 5
H-donors: 1
H-acceptors: 8
PSA: 128
Number of rings: 6

     

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