COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK527800
Chemical Name: octamethyl9',9''-(phenylmethanediyl)bis(5',5',6'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate)
Smiles: COC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(ccc2N(C1(C)C)C)C(c1ccc2c(c1)C1=C(C(N2C)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)c1ccccc1)C(=O)OC)C(=O)OC)C(=O)OC

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Molecular Weight: 1215.46
Empirical Formula: C57H54N2O16S6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 20.18
Rotatable bonds: 18
H-donors: 0
H-acceptors: 16
PSA: 368
Number of rings: 9

     

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