COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789251
Chemical Name: dimethyl2-{1-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COc1ccc(cc1)/C=C/C(=O)N1c2ccccc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)C

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Molecular Weight: 567.71
Empirical Formula: C28H25NO6S3

Physical State: Dry powder
Available Amount: 285 mg

Lipinsky:
logP: 6.047
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 4

     

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