Molecular Properties | |
SMILES: | O=C(NCc1ccc(Cl)cc1CN1CCN(C(=O)CCl)CC1)[C@@H]1CCCOC1 |
MW: | 428.36 |
Fraction sp3: | 0.6 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 61.88 |
cLogP: | 2.2658 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activity Data | |
IC50 (µM) - Fluorescence: | 12.1132386806886 |
IC50 (µM) - RapidFire: | 20.1327620824878 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
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