COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL412325
Chemical Name: 2-({4-[(Z)-(3-hydroxy-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-2-methoxyphenoxy}methyl)benzonitrile
Smiles: COc1cc(ccc1OCc1ccccc1C#N)/C=C\1/C(=NN(C1=O)c1ccccc1)O

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Molecular Weight: 425.44
Empirical Formula: C25H19N3O4

Physical State: Dry powder
Available Amount: 136 mg

Lipinsky:
logP: 4.103
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 4

     

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