COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK063404
Chemical Name: dimethyl2-{1-[(1,3-benzothiazol-2-yloxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)COc2nc3c(s2)cccc3)/S1)C(=O)OC

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Molecular Weight: 598.75
Empirical Formula: C27H22N2O6S4

Physical State: Dry powder
Available Amount: 461 mg

Lipinsky:
logP: 7.086
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 205
Number of rings: 5

     

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