COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK011991
Chemical Name: 2-{4-[4-nitro-3-(quinolin-8-ylsulfanyl)phenyl]piperazin-1-yl}ethanol
Smiles: OCCN1CCN(CC1)c1ccc(c(c1)Sc1cccc2c1nccc2)[N+](=O)[O-]

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Molecular Weight: 410.5
Empirical Formula: C21H22N4O3S

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 4.282
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 110
Number of rings: 4

     

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