Molecule Details
| Molecular Properties | |
| SMILES: | COCCCNCC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
| MW: | 439.17 |
| Fraction sp3: | 0.33 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 8 |
| TPSA: | 72.48 |
| cLogP: | 4.17 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 11.383488223709 |
| IC50 (µM) - RapidFire: | 22.5123350622491 |
| Order Status | |
| Ordered: | 2021-01-25 |
| Synthesis Location: | enamine |
| Shipped: | 2021-02-17 |
Aliphatic long chain
Long aliphatic chain
Unbranched chain
EDJ-MED-15e90dfc-3
0.882
EDJ-MED-424a8a89-1
0.882
EDJ-MED-15e90dfc-7
0.796
EDJ-MED-f893e2a1-8
0.789
MAT-POS-e6dd326d-10
0.786
MAT-POS-e6dd326d-2
0.766
MAT-POS-45b13633-2
0.766
EDJ-MED-28ec730d-1
0.758
MAT-POS-e6dd326d-11
0.755
MAT-POS-e6dd326d-4
0.753
MAT-POS-e6dd326d-13
0.750
MAT-POS-e6dd326d-6
0.747
EDJ-MED-28ec730d-2
0.745
RAL-THA-e002e396-11
0.742
MAT-POS-e6dd326d-9
0.735
EDJ-MED-f893e2a1-4
0.731
EDJ-MED-424a8a89-2
0.727
EDJ-MED-f893e2a1-3
0.725
MAT-POS-e6dd326d-5
0.723
MAT-POS-e6dd326d-12
0.720
EDJ-MED-f893e2a1-10
0.714
KAD-UNI-cb0f2bbc-22
0.710
MAT-POS-61f37a1a-3
0.710
MAT-POS-e6dd326d-7
0.709
EDJ-MED-f893e2a1-2
0.708
MAT-POS-e6dd326d-8
0.703
EDJ-MED-8c98ee63-2
0.694
KAD-UNI-b13decd3-3
0.694
MAT-POS-24589f88-12
0.694
EDJ-MED-15e90dfc-6
0.694
MAT-POS-45b13633-5
0.693
EDJ-MED-4c7486ba-4
0.692
EDG-MED-70ae9412-2
0.692
EDJ-MED-4c7486ba-1
0.692
EDJ-MED-15e90dfc-1
0.692
EDJ-MED-15e90dfc-4
0.692
EDJ-MED-f893e2a1-1
0.692
EDG-MED-971238d3-2
0.691
MAT-POS-9db1e783-2
0.691
KAD-UNI-b13decd3-10
0.690
RAL-THA-e002e396-1
0.690
RAL-THA-e002e396-2
0.690
RAL-THA-58fba2bc-3
0.687
EDG-MED-971238d3-3
0.687
EDJ-MED-40433386-4
0.686
MAT-POS-2bb0cf2b-1
0.684
EDG-MED-971238d3-5
0.684
MAT-POS-e6dd326d-1
0.684
MAT-POS-45b13633-1
0.684
EDJ-MED-40433386-10
0.683
DAR-DIA-ecdbc7dd-16
0.683
MAT-POS-e6dd326d-3
0.680
MAT-POS-45b13633-3
0.680
EDJ-MED-f893e2a1-7
0.679
EDJ-MED-f893e2a1-6
0.679
KAD-UNI-b13decd3-9
0.679
MAT-POS-5d65ec79-1
0.676
MAT-POS-f9802937-4
0.676
MAT-POS-f9802937-3
0.676
JAG-UCB-706446eb-3
0.670
EDG-MED-971238d3-6
0.670
EDG-MED-971238d3-10
0.670
RAL-THA-58fba2bc-1
0.670
MAT-POS-45b13633-4
0.670
EDG-MED-971238d3-9
0.670
RAL-THA-e002e396-5
0.670
RAL-THA-e002e396-12
0.670
EDJ-MED-f893e2a1-9
0.670
EDJ-MED-15e90dfc-5
0.670
EDJ-MED-6d9ff7d0-4
0.667
MAT-POS-24589f88-13
0.667
EDG-MED-971238d3-8
0.667
DAR-DIA-6a508060-13
0.667
MAT-POS-f9802937-5
0.667
MAT-POS-5d65ec79-2
0.667
MAT-POS-f9802937-6
0.667
RAL-THA-e002e396-6
0.667
EDG-MED-971238d3-7
0.667
MAT-POS-7174c657-1
0.667
KAD-UNI-cb0f2bbc-23
0.667
MAT-POS-61f37a1a-6
0.664
KAD-UNI-cb0f2bbc-16
0.664
KAD-UNI-cb0f2bbc-15
0.664
KAD-UNI-cb0f2bbc-18
0.664
MAT-POS-61f37a1a-9
0.664
EDJ-MED-15e90dfc-2
0.664
RAL-THA-e002e396-7
0.663
DAR-DIA-ecdbc7dd-13
0.663
KAD-UNI-cb0f2bbc-10
0.661
MAT-POS-61f37a1a-1
0.661
MAT-POS-e6dd326d-14
0.661
MAT-POS-a3f7f96a-9
0.658
KAD-UNI-b13decd3-7
0.658
KAD-UNI-cb0f2bbc-9
0.658
MAT-POS-24589f88-9
0.658
KAD-UNI-b13decd3-4
0.658
KAD-UNI-b13decd3-12
0.658
MAT-POS-7174c657-4
0.658
EDJ-MED-4c7486ba-3
0.658
EDJ-MED-4c7486ba-2
0.658