COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK094341
Chemical Name: dimethyl2-{1-[(2E)-but-2-enoyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: C/C=C/C(=O)N1c2ccc(cc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)C)C

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Molecular Weight: 489.64
Empirical Formula: C23H23NO5S3

Physical State: Dry powder
Available Amount: 789 mg

Lipinsky:
logP: 4.951
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 155
Number of rings: 3

     

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