COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK009603
Chemical Name: diethyl2-[7-methoxy-2,2-dimethyl-1-(2-methylpropanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: CCOC(=O)C1=C(S/C(=C\2/c3ccc(cc3N(C(C2=S)(C)C)C(=O)C(C)C)OC)/S1)C(=O)OCC

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Molecular Weight: 535.71
Empirical Formula: C25H29NO6S3

Physical State: Dry powder
Available Amount: 453 mg

Lipinsky:
logP: 6.023
Rotatable bonds: 8
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 3

     

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