COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056920
Chemical Name: 2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}quinolinium
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CSc1ccc2c([nH+]1)cccc2

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Saltdata: Br-
Molecular Weight: 325.37
Empirical Formula: C17H13N2O3S

Physical State: Dry powder
Available Amount: 175 mg

Lipinsky:
logP: 3.873
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 102
Number of rings: 3

     

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