COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK231704
Chemical Name: 2-(3,5-dimethylphenoxy)-1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethanone
Smiles: Cc1cc(OCC(=O)N2CCN(CC2)c2ccc(cc2[N+](=O)[O-])C(F)(F)F)cc(c1)C

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Molecular Weight: 437.42
Empirical Formula: C21H22F3N3O4

Physical State: Dry powder
Available Amount: 165 mg

Lipinsky:
logP: 5.477
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 78
Number of rings: 3

     

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