COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK090631
Chemical Name: dimethyl2-[1-(3-cyclohexylpropanoyl)-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C\2/C(=S)C(C)(C)N(c3c2cc(C)c(c3)C)C(=O)CCC2CCCCC2)/S1)C(=O)OC

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Molecular Weight: 573.8
Empirical Formula: C29H35NO5S3

Physical State: Dry powder
Available Amount: 452 mg

Lipinsky:
logP: 8.178
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 155
Number of rings: 4

     

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