COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK132548
Chemical Name: dimethyl2-[2,2,7-trimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C\2/c3ccc(cc3N(C(C2=S)(C)C)C(=O)CC(C)C)C)/S1)C(=O)OC

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Molecular Weight: 505.68
Empirical Formula: C24H27NO5S3

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 6.006
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 155
Number of rings: 3

     

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