COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK012759
Chemical Name: dimethyl2-{1-[(3,5-dimethoxyphenyl)carbonyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COc1cc(OC)cc(c1)C(=O)N1c2cc(C)ccc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)C

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Molecular Weight: 585.72
Empirical Formula: C28H27NO7S3

Physical State: Dry powder
Available Amount: 207 mg

Lipinsky:
logP: 5.65
Rotatable bonds: 6
H-donors: 0
H-acceptors: 7
PSA: 174
Number of rings: 4

     

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