COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK302388
Chemical Name: {5-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Smiles: CC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1ccc(o1)Cn1cc(c(n1)[N+](=O)[O-])Br

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Molecular Weight: 466.17
Empirical Formula: C14H11BrF3N5O5

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 0.365
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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