COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK320665
Chemical Name: dimethyl2-(1-acetyl-8-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/c3cccc(c3N(C(C2=S)(C)C)C(=O)C)OC)/S1)C(=O)OC

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Molecular Weight: 479.6
Empirical Formula: C21H21NO6S3

Physical State: Dry powder
Available Amount: 416 mg

Lipinsky:
logP: 4.433
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 3

     

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