Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2ccccc12 |
MW: | 296.07 |
Fraction sp3: | 0.06 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 4.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1530724813 |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.721197027282131 |
IC50 (µM) - RapidFire: | 1.05671848570431 |
Trypsin IC50 (µM): | 99.0 |
pIC50 (µM) - Fluorescence | 6.14194607207391 |
Average Inhibition @ 20 µM - Fluorescence: | 93.50417 |
Average Inhibition @ 50 µM - Fluorescence: | 84.803335 |
Average Inhibition @ 50 µM - RapidFire: | 84.9102154859423 |
Relative Solubility @ 20 µM: | 1.0 |
Relative Solubility @ 100 µM: | 0.86 |
Order Status | |
Ordered: | 2020-06-20 |
Synthesis Location: | enamine |
Shipped: | 2020-07-08 |
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