COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK091847
Chemical Name: [(6-nitro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)sulfanyl]aceticacid
Smiles: OC(=O)CSc1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)[N+](=O)[O-]

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Saltdata: H2O
Molecular Weight: 356.36
Empirical Formula: C17H12N2O5S

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 4.379
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 137
Number of rings: 3

     

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