COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK095676
Chemical Name: tetrahydrofuran-2-ylmethyl2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CSc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCC1CCCO1

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Molecular Weight: 413.54
Empirical Formula: C23H27NO4S

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 2.164
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 89
Number of rings: 4

     

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