COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK000960
Chemical Name: 2-(ethylsulfanyl)ethyl7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)C(=O)CC(C2)c1ccc(cc1)Cl

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Molecular Weight: 542.1
Empirical Formula: C29H32ClNO5S

Physical State: Dry powder
Available Amount: 232 mg

Lipinsky:
logP: 4.798
Rotatable bonds: 10
H-donors: 2
H-acceptors: 5
PSA: 110
Number of rings: 4

     

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