COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK315832
Chemical Name: (1,3-dimethyl-4-nitro-1H-pyrazol-5-yl){4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Smiles: Cn1nc(c(c1C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)[N+](=O)[O-])C

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Molecular Weight: 397.36
Empirical Formula: C17H18F3N5O3

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 1.207
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 87
Number of rings: 3

     

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