COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL436003
Chemical Name: dimethyl2-{8-ethoxy-2,2-dimethyl-1-[(3-nitrophenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: CCOc1cccc2c1N(C(=O)c1cccc(c1)[N+](=O)[O-])C(C(=S)/C/2=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)(C)C

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Molecular Weight: 600.69
Empirical Formula: C27H24N2O8S3

Physical State: Dry powder
Available Amount: 28 mg

Lipinsky:
logP: 5.396
Rotatable bonds: 7
H-donors: 0
H-acceptors: 8
PSA: 210
Number of rings: 4

     

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