COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK402337
Chemical Name: 2-phenylethyl2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: O=C(C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)C)OCCc1ccccc1

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Molecular Weight: 460.53
Empirical Formula: C27H28N2O5

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 4.599
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 4

     

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