COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK136831
Chemical Name: tetramethyl6'-[(3,5-dimethoxyphenyl)carbonyl]-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Smiles: CCOc1ccc2c(c1)C1=C(C(N2C(=O)c2cc(OC)cc(c2)OC)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC

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Molecular Weight: 757.86
Empirical Formula: C35H35NO12S3

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 10.927
Rotatable bonds: 12
H-donors: 0
H-acceptors: 12
PSA: 229
Number of rings: 5

     

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