COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL408353
Chemical Name: methyl3-[3-hydroxy-5-(2,4,5-trifluorobenzyl)-1H-pyrazol-4-yl]-3-(3-nitrophenyl)propanoate
Smiles: COC(=O)CC(c1c(O)n[nH]c1Cc1cc(F)c(cc1F)F)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 435.36
Empirical Formula: C20H16F3N3O5

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 4.046
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 121
Number of rings: 3

     

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