COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK040325
Chemical Name: 2-(ethylsulfanyl)ethyl4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)OC(=O)C)C(=O)CC(C2)(C)C

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Molecular Weight: 501.64
Empirical Formula: C27H35NO6S

Physical State: Dry powder
Available Amount: 173 mg

Lipinsky:
logP: 3.764
Rotatable bonds: 11
H-donors: 1
H-acceptors: 6
PSA: 116
Number of rings: 3

     

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