COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK041243
Chemical Name: tetramethyl9'-[{4-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1,2,2-trimethyl-3-thioxo-1,2,3,4-tetrahydroquinolin-6-yl}(phenyl)methyl]-5',5',6'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thi
Smiles: COC(=O)C1=C(S/C(=C\2/c3cc(ccc3N(C(C2=S)(C)C)C)C(c2ccc3c(c2)C2=C(C(N3C)(C)C)SC(=C(C32SC(=C(S3)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)c2ccccc2)/S1)C(=O)OC

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Molecular Weight: 1073.34
Empirical Formula: C51H48N2O12S6

Physical State: Dry powder
Available Amount: 154 mg

Lipinsky:
logP: 14.907
Rotatable bonds: 14
H-donors: 0
H-acceptors: 12
PSA: 322
Number of rings: 8

     

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