COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036681
Chemical Name: dimethyl2-[2,2,7-trimethyl-1-(2-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: CCC(C(=O)N1c2cc(C)ccc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)C)C

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Molecular Weight: 505.68
Empirical Formula: C24H27NO5S3

Physical State: Dry powder
Available Amount: 740 mg

Lipinsky:
logP: 6.006
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 155
Number of rings: 3

     

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