COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK055584
Chemical Name: tetraethyl6'-[(2,5-dioxopyrrolidin-1-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: CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)CN1C(=O)CCC1=O)SC(=C(S2)C(=O)OCC)C(=O)OCC

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Molecular Weight: 774.89
Empirical Formula: C35H38N2O12S3

Physical State: Dry powder
Available Amount: 455 mg

Lipinsky:
logP: 10.479
Rotatable bonds: 14
H-donors: 0
H-acceptors: 12
PSA: 248
Number of rings: 5

     

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