COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK015677
Chemical Name: diethyl2-(1-butanoyl-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Smiles: CCCC(=O)N1c2cc(C)ccc2/C(=C\2/SC(=C(S2)C(=O)OCC)C(=O)OCC)/C(=S)C1(C)C

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Molecular Weight: 519.71
Empirical Formula: C25H29NO5S3

Physical State: Dry powder
Available Amount: 796 mg

Lipinsky:
logP: 6.721
Rotatable bonds: 8
H-donors: 0
H-acceptors: 5
PSA: 155
Number of rings: 3

     

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