COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789635
Chemical Name: dimethyl2-{1-[(3-methoxyphenyl)carbonyl]-2,2,8-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COc1cccc(c1)C(=O)N1c2c(C)cccc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)C

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Molecular Weight: 555.7
Empirical Formula: C27H25NO6S3

Physical State: Dry powder
Available Amount: 355 mg

Lipinsky:
logP: 5.604
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 4

     

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