COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK105879
Chemical Name: diethyl2-[2,2,6-trimethyl-1-(phenylacetyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: CCOC(=O)C1=C(S/C(=C\2/C(=S)C(C)(C)N(c3c2cc(C)cc3)C(=O)Cc2ccccc2)/S1)C(=O)OCC

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Molecular Weight: 567.75
Empirical Formula: C29H29NO5S3

Physical State: Dry powder
Available Amount: 466 mg

Lipinsky:
logP: 7.489
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 155
Number of rings: 4

     

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