COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789472
Chemical Name: dimethyl2-{1-[(1,3-benzothiazol-2-yloxy)acetyl]-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)COc1nc2c(s1)cccc2)(C)C

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Molecular Weight: 628.77
Empirical Formula: C28H24N2O7S4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.961
Rotatable bonds: 8
H-donors: 0
H-acceptors: 7
PSA: 215
Number of rings: 5

     

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