COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789876
Chemical Name: diethyl2-{1-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OCC)C(=O)OCC)/C(=S)C(N2C(=O)CSc1nc2c(o1)cccc2)(C)C

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Molecular Weight: 670.85
Empirical Formula: C31H30N2O7S4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.552
Rotatable bonds: 11
H-donors: 0
H-acceptors: 7
PSA: 216
Number of rings: 5

     

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