COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK395054
Chemical Name: dimethyl2-(1-ethyl-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Smiles: CCN1c2ccccc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)C

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Molecular Weight: 435.59
Empirical Formula: C20H21NO4S3

Physical State: Dry powder
Available Amount: 257 mg

Lipinsky:
logP: 4.722
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 138
Number of rings: 3

     

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