COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK008613
Chemical Name: diethyl2-{6-[{4-[4,5-bis(ethoxycarbonyl)-1,3-dithiol-2-ylidene]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-7(1H)-yl}(phenyl)methyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiol
Smiles: CCOC(=O)C1=C(S/C(=C\2/c3ccc(cc3NC(C2=S)(C)C)C(c2ccc3c(c2)/C(=C\2/SC(=C(S2)C(=O)OCC)C(=O)OCC)/C(=S)C(N3)(C)C)c2ccccc2)/S1)C(=O)OCC

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Molecular Weight: 959.29
Empirical Formula: C47H46N2O8S6

Physical State: Dry powder
Available Amount: 447 mg

Lipinsky:
logP: 10.943
Rotatable bonds: 14
H-donors: 2
H-acceptors: 8
PSA: 294
Number of rings: 7

     

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