COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK035332
Chemical Name: dimethyl2-{1-[(2E)-but-2-enoyl]-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)OC)C(=O)OC)/C(=S)C(N2C(=O)/C=C/C)(C)C

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Molecular Weight: 519.66
Empirical Formula: C24H25NO6S3

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 4.998
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 3

     

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