COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK076858
Chemical Name: dimethyl2-{1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)C(N2C(=O)c3c(C2=O)cccc3)Cc2ccccc2)/S1)C(=O)OC

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Molecular Weight: 698.84
Empirical Formula: C36H30N2O7S3

Physical State: Dry powder
Available Amount: 469 mg

Lipinsky:
logP: 8.522
Rotatable bonds: 6
H-donors: 0
H-acceptors: 7
PSA: 192
Number of rings: 6

     

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