COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK133627
Chemical Name: dimethyl2-{1-[(3,5-dimethoxyphenyl)carbonyl]-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)c1cc(OC)cc(c1)OC)(C)C

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Molecular Weight: 615.75
Empirical Formula: C29H29NO8S3

Physical State: Dry powder
Available Amount: 411 mg

Lipinsky:
logP: 5.596
Rotatable bonds: 8
H-donors: 0
H-acceptors: 8
PSA: 183
Number of rings: 4

     

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