COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL070955
Chemical Name: ethyl(2Z)-2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Smiles: CCCCC(=O)N1c2ccc(cc2/C(=C/2\SC(=C(S2)C(=O)OCC)c2ccccc2)/C(=S)C1(C)C)OCC

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Molecular Weight: 567.79
Empirical Formula: C30H33NO4S3

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 8.974
Rotatable bonds: 8
H-donors: 0
H-acceptors: 4
PSA: 138
Number of rings: 4

     

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