COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL397552
Chemical Name: (2E)-3-[4-(propan-2-yloxy)phenyl]-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
Smiles: CC(Oc1ccc(cc1)/C=C/C(=O)c1c(C)nn(c1C)C)C

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Molecular Weight: 298.38
Empirical Formula: C18H22N2O2

Physical State: Dry powder
Available Amount: 53 mg

Lipinsky:
logP: 4.126
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 44
Number of rings: 2

     

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