COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK039115
Chemical Name: 2-(4-chloro-2-methylphenoxy)-1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethanone
Smiles: Clc1ccc(c(c1)C)OCC(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 457.84
Empirical Formula: C20H19ClF3N3O4

Physical State: Dry powder
Available Amount: 259 mg

Lipinsky:
logP: 5.703
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 78
Number of rings: 3

     

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