Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1CN1CCN(C(=O)CCl)CC1 |
MW: | 321.812 |
Fraction sp3: | 0.53 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 72.26 |
cLogP: | 1.26808 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
MolPort: | MolPort-047-547-873 |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.21638505121816 |
IC50 (µM) - RapidFire: | 1.63999401739811 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | 2020-07-08 |
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