COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK080217
Chemical Name: 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl4-methylbenzenesulfonate
Smiles: CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C(c1c(C)n[nH]c1O)c1c(C)n[nH]c1O

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Saltdata: HCl
Molecular Weight: 498.56
Empirical Formula: C24H26N4O6S

Physical State: Dry powder
Available Amount: 78 mg

Lipinsky:
logP: 4.072
Rotatable bonds: 9
H-donors: 4
H-acceptors: 6
PSA: 158
Number of rings: 4

     

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