COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL507680
Chemical Name: ethyl4-{(4Z)-4-[3-bromo-4-(dimethylamino)benzylidene]-3-hydroxy-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1N=C(/C(=C/c2ccc(c(c2)Br)N(C)C)/C1=O)O

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Molecular Weight: 458.31
Empirical Formula: C21H20BrN3O4

Physical State: Dry powder
Available Amount: 713 mg

Lipinsky:
logP: 5.392
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 82
Number of rings: 3

     

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