COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK508579
Chemical Name: ethyl(2Z)-2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate
Smiles: CCOC(=O)C1=C(S/C(=C/2\c3cc(OCC)ccc3N(C(C2=S)(C)C)C(=O)CC(C)C)/S1)c1ccccc1

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Molecular Weight: 567.79
Empirical Formula: C30H33NO4S3

Physical State: Dry powder
Available Amount: 319 mg

Lipinsky:
logP: 8.79
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 138
Number of rings: 4

     

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