COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK046542
Chemical Name: tetramethyl6'-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetyl]-7'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Smiles: CCOc1cccc2c1N(C(=O)Cn1c(=O)c3cccc4c3c(c1=O)ccc4)C(C1=C2C2(SC(=C(S2)C(=O)OC)C(=O)OC)C(=C(S1)C(=O)OC)C(=O)OC)(C)C

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Molecular Weight: 830.91
Empirical Formula: C40H34N2O12S3

Physical State: Dry powder
Available Amount: 459 mg

Lipinsky:
logP: 11.442
Rotatable bonds: 11
H-donors: 0
H-acceptors: 12
PSA: 248
Number of rings: 7

     

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