COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK005178
Chemical Name: dimethyl2-{1-[(2,5-dioxopyrrolidin-1-yl)acetyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C\2/C(=S)C(C)(C)N(c3c2cc(C)cc3)C(=O)CN2C(=O)CCC2=O)/S1)C(=O)OC

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Molecular Weight: 560.67
Empirical Formula: C25H24N2O7S3

Physical State: Dry powder
Available Amount: 465 mg

Lipinsky:
logP: 3.738
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 192
Number of rings: 4

     

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