COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK077785
Chemical Name: 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl4-bromobenzoate
Smiles: Brc1ccc(cc1)C(=O)Oc1ccc(cc1)C(c1c(O)[nH]nc1C)c1c(O)[nH]nc1C

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Saltdata: HCl
Molecular Weight: 483.32
Empirical Formula: C22H19BrN4O4

Physical State: Dry powder
Available Amount: 481 mg

Lipinsky:
logP: 4.987
Rotatable bonds: 5
H-donors: 4
H-acceptors: 4
PSA: 124
Number of rings: 4

     

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