COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL070927
Chemical Name: dimethyl2-[2,2,6-trimethyl-1-(3-phenylpropanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)CCc2ccccc2)/S1)C(=O)OC

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Molecular Weight: 553.72
Empirical Formula: C28H27NO5S3

Physical State: Dry powder
Available Amount: 192 mg

Lipinsky:
logP: 6.788
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 155
Number of rings: 4

     

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