COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK386253
Chemical Name: (4E)-2-(4-bromophenyl)-4-(4-hydroxy-3,5-dimethoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(/C=C/2\C(=NN(C2=O)c2ccc(cc2)Br)C)cc(c1O)OC

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Molecular Weight: 417.26
Empirical Formula: C19H17BrN2O4

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 2.958
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 3

     

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