COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL070939
Chemical Name: dimethyl2-{2,2-dimethyl-1-[(3-nitrophenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)[N+](=O)[O-])/S1)C(=O)OC

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Molecular Weight: 556.64
Empirical Formula: C25H20N2O7S3

Physical State: Dry powder
Available Amount: 220 mg

Lipinsky:
logP: 4.89
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 201
Number of rings: 4

     

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