COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK087773
Chemical Name: 4-[(E)-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imino}methyl]-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: OCC(/N=C/c1c(C)[nH]n(c1=O)c1ccc(cc1)[N+](=O)[O-])(CO)CO

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Molecular Weight: 350.33
Empirical Formula: C15H18N4O6

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 1.056
Rotatable bonds: 7
H-donors: 4
H-acceptors: 6
PSA: 151
Number of rings: 2

     

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