COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK346242
Chemical Name: 2-(3,5-dimethylphenoxy)-1-{4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}ethanone
Smiles: Cc1cc(OCC(=O)N2CCN(CC2)c2ccc(c(c2)N2CCCCC2)[N+](=O)[O-])cc(c1)C

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Molecular Weight: 452.55
Empirical Formula: C25H32N4O4

Physical State: Dry powder
Available Amount: 163 mg

Lipinsky:
logP: 5.707
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 81
Number of rings: 4

     

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