COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK965997
Chemical Name: 3-[(4Z)-4-{4-[2-(benzylamino)-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)c2cccc(c2)C(=O)O)C)cc(c1OCC(=O)NCc1ccccc1)Br

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Molecular Weight: 578.42
Empirical Formula: C28H24BrN3O6

Physical State: Dry powder
Available Amount: 46 mg

Lipinsky:
logP: 4.308
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 117
Number of rings: 4

     

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