COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL172646
Chemical Name: 3-[(4Z)-4-(2-bromo-4-hydroxy-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]propanenitrile
Smiles: N#CCCN1N=C(/C(=C/c2cc(OC)c(cc2Br)O)/C1=O)C

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Molecular Weight: 364.2
Empirical Formula: C15H14BrN3O3

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 1.842
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 85
Number of rings: 2

     

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