COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK460476
Chemical Name: (2E)-2-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Smiles: N#C/C(=C\c1cnn(c1)CC)/C(=O)C(C)(C)C

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Molecular Weight: 231.3
Empirical Formula: C13H17N3O

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 1.533
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 58
Number of rings: 1

     

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