COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK958442
Chemical Name: 4-{(4Z)-4-[4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: COc1cc(/C=C\2/C(=NN(C2=O)c2ccc(cc2)C(=O)O)C)cc(c1OCC(=O)N)Br

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Molecular Weight: 488.29
Empirical Formula: C21H18BrN3O6

Physical State: Dry powder
Available Amount: 11 mg

Lipinsky:
logP: 2.195
Rotatable bonds: 6
H-donors: 3
H-acceptors: 6
PSA: 131
Number of rings: 3

     

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