COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK094479
Chemical Name: ethyl(2Z)-2-{1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-6-ethoxy-2,2-dimethyl-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)CN2C(=O)c3c(C2=O)cccc3)/S1)c1ccccc1

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Molecular Weight: 670.83
Empirical Formula: C35H30N2O6S3

Physical State: Dry powder
Available Amount: 656 mg

Lipinsky:
logP: 9.029
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 175
Number of rings: 6

     

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