COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK033853
Chemical Name: tetramethyl6'-(2-ethylbutanoyl)-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Smiles: COc1ccc2c(c1)C1=C(C(N2C(=O)C(CC)CC)(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: 677.82
Empirical Formula: C31H35NO10S3

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 11.283
Rotatable bonds: 12
H-donors: 0
H-acceptors: 10
PSA: 210
Number of rings: 4

     

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