COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK044755
Chemical Name: 2-phenylethyl2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CC(C2)c1ccccc1)OCCc1ccccc1

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Molecular Weight: 552.58
Empirical Formula: C32H28N2O7

Physical State: Dry powder
Available Amount: 194 mg

Lipinsky:
logP: 5.501
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 119
Number of rings: 6

     

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