COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK021525
Chemical Name: 2-phenylethyl4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COC(=O)c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCc1ccccc1

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Molecular Weight: 445.52
Empirical Formula: C27H27NO5

Physical State: Dry powder
Available Amount: 176 mg

Lipinsky:
logP: 3.813
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 81
Number of rings: 4

     

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