COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK095128
Chemical Name: dimethyl2-{1-[ethoxy(oxo)acetyl]-2,2,8-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: CCOC(=O)C(=O)N1c2c(C)cccc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)C

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Molecular Weight: 521.64
Empirical Formula: C23H23NO7S3

Physical State: Dry powder
Available Amount: 443 mg

Lipinsky:
logP: 4.428
Rotatable bonds: 7
H-donors: 0
H-acceptors: 7
PSA: 181
Number of rings: 3

     

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