COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK363810
Chemical Name: 2-(ethylsulfanyl)ethyl2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)C)C(=O)CC(C2)(C)C

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Molecular Weight: 481.61
Empirical Formula: C27H31NO5S

Physical State: Dry powder
Available Amount: 82 mg

Lipinsky:
logP: 3.807
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 4

     

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