COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK071271
Chemical Name: 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenylbenzenesulfonate
Smiles: COc1cc(ccc1OS(=O)(=O)c1ccccc1)C(c1c(O)[nH]nc1C)c1c(O)[nH]nc1C

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Saltdata: HCI
Molecular Weight: 470.51
Empirical Formula: C22H22N4O6S

Physical State: Dry powder
Available Amount: 380 mg

Lipinsky:
logP: 3.08
Rotatable bonds: 8
H-donors: 4
H-acceptors: 6
PSA: 158
Number of rings: 4

     

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