COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK020352
Chemical Name: tetramethyl6'-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-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)CN2C(=O)C3C(C2=O)CCCC3)(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: 786.9
Empirical Formula: C36H38N2O12S3

Physical State: Dry powder
Available Amount: 153 mg

Lipinsky:
logP: 10.431
Rotatable bonds: 11
H-donors: 0
H-acceptors: 12
PSA: 248
Number of rings: 6

     

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