Molecular Properties | |
SMILES: | Cc1nc(-c2cccc(CNC(=O)Nc3cccc(CN4CCCC4=O)c3)c2)n[nH]1 |
MW: | 404.2 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 103.01 |
cLogP: | 3.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1529605835 |
MolPort: | MolPort-047-549-799 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Average Inhibition @ 20 µM - Fluorescence: | 2.11989865 |
Average Inhibition @ 50 µM - Fluorescence: | 2.9529215 |
Relative Solubility @ 20 µM: | 0.98 |
Relative Solubility @ 100 µM: | 0.98 |
Order Status | |
Ordered: | 2020-05-30 |
Synthesis Location: | enamine |
Shipped: | 2020-06-24 |
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