COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK075999
Chemical Name: 2-(ethylsulfanyl)ethyl2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)C)C(=O)CC(C2)(C)C

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Molecular Weight: 413.58
Empirical Formula: C24H31NO3S

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 4.531
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 80
Number of rings: 3

     

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