COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK407468
Chemical Name: 3-[2-(ethylsulfanyl)ethyl]6-methyl4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Smiles: CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)C(C(C2)C)C(=O)OC)C(=O)OCCSCC

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Molecular Weight: 545.65
Empirical Formula: C28H35NO8S

Physical State: Dry powder
Available Amount: 169 mg

Lipinsky:
logP: 3.211
Rotatable bonds: 13
H-donors: 1
H-acceptors: 8
PSA: 142
Number of rings: 3

     

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