COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK078002
Chemical Name: diethyl2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Smiles: CCCCC(=O)N1c2ccc(cc2/C(=C\2/SC(=C(S2)C(=O)OCC)C(=O)OCC)/C(=S)C1(C)C)OCC

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Molecular Weight: 563.76
Empirical Formula: C27H33NO6S3

Physical State: Dry powder
Available Amount: 444 mg

Lipinsky:
logP: 7.199
Rotatable bonds: 11
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 3

     

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