COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK048751
Chemical Name: 2-(ethylsulfanyl)ethyl4-(6-chloro-4-oxo-4H-chromen-3-yl)-7-(3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)Cl)C(=O)CC(C2)c1cccc(c1)OC

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Molecular Weight: 580.1
Empirical Formula: C31H30ClNO6S

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 4.439
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 116
Number of rings: 5

     

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