COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK033572
Chemical Name: 3-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl4-methylbenzenesulfonate
Smiles: Cc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)C(c1c(C)n[nH]c1O)c1c(C)n[nH]c1O

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Saltdata: HCI
Molecular Weight: 454.51
Empirical Formula: C22H22N4O5S

Physical State: Dry powder
Available Amount: 394 mg

Lipinsky:
logP: 3.976
Rotatable bonds: 7
H-donors: 4
H-acceptors: 5
PSA: 149
Number of rings: 4

     

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