COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789355
Chemical Name: dimethyl2-{1-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C\2/C(=S)C(C)(C)N(c3c2ccc(c3)C)C(=O)Cn2c(=O)c3cccc4c3c(c2=O)ccc4)/S1)C(=O)OC

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Molecular Weight: 658.78
Empirical Formula: C33H26N2O7S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.873
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 192
Number of rings: 6

     

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