COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK011586
Chemical Name: dimethyl2-[8-methoxy-2,2-dimethyl-1-(phenylacetyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C/2\c3cccc(c3N(C(C2=S)(C)C)C(=O)Cc2ccccc2)OC)/S1)C(=O)OC

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Molecular Weight: 555.7
Empirical Formula: C27H25NO6S3

Physical State: Dry powder
Available Amount: 449 mg

Lipinsky:
logP: 6.264
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 4

     

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