COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK508574
Chemical Name: tetramethyl6'-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetyl]-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Smiles: COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)Cn1c(=O)c3cccc4c3c(c1=O)ccc4)SC(=C(S2)C(=O)OC)C(=O)OC

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Molecular Weight: 816.89
Empirical Formula: C39H32N2O12S3

Physical State: Dry powder
Available Amount: 382 mg

Lipinsky:
logP: 10.488
Rotatable bonds: 10
H-donors: 0
H-acceptors: 12
PSA: 248
Number of rings: 7

     

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