COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK085886
Chemical Name: dimethyl2-[1-(1,3-benzodioxol-5-ylcarbonyl)-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C/2\c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)c2ccc3c(c2)OCO3)/S1)C(=O)OC

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Molecular Weight: 585.68
Empirical Formula: C27H23NO8S3

Physical State: Dry powder
Available Amount: 390 mg

Lipinsky:
logP: 4.266
Rotatable bonds: 6
H-donors: 0
H-acceptors: 8
PSA: 183
Number of rings: 5

     

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