COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK047549
Chemical Name: 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl3-nitrobenzoate
Smiles: COc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])C(c1c(O)[nH]nc1C)c1c(O)[nH]nc1C

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Molecular Weight: 479.45
Empirical Formula: C23H21N5O7

Physical State: Dry powder
Available Amount: 77 mg

Lipinsky:
logP: 3.885
Rotatable bonds: 9
H-donors: 4
H-acceptors: 7
PSA: 179
Number of rings: 4

     

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