Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2cc(Cl)ccc2CNC(=O)N2CCOCC2)CC1 |
MW: | 429.348 |
Fraction sp3: | 0.58 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 65.12 |
cLogP: | 1.7648 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.79513106116713 |
IC50 (µM) - RapidFire: | 5.55170588588082 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-30 |
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