Molecule Details
| Molecular Properties | |
| SMILES: | Cn1ccc(CNCC2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)n1 |
| MW: | 461.16 |
| Fraction sp3: | 0.24 |
| HBA: | 6 |
| HBD: | 2 |
| Rotatable Bonds: | 6 |
| TPSA: | 81.07 |
| cLogP: | 4.07 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.802810855854396 |
| Order Status | |
| Ordered: | 2021-01-25 |
| Synthesis Location: | enamine |
| Shipped: | 2021-02-11 |
EDJ-MED-15e90dfc-4
0.755
MAT-POS-e6dd326d-11
0.752
EDJ-MED-f893e2a1-8
0.750
KAD-UNI-cb0f2bbc-14
0.744
MAT-POS-61f37a1a-10
0.744
MAT-POS-e6dd326d-13
0.731
MAT-POS-e6dd326d-10
0.731
MAT-POS-e6dd326d-2
0.727
MAT-POS-45b13633-2
0.727
EDJ-MED-15e90dfc-3
0.714
EDJ-MED-424a8a89-1
0.714
EDJ-MED-f893e2a1-10
0.713
KAD-UNI-b13decd3-6
0.711
MAT-POS-5f1400cf-2
0.711
KAD-UNI-b13decd3-3
0.709
MAT-POS-24589f88-12
0.709
EDJ-MED-15e90dfc-7
0.708
EDJ-MED-15e90dfc-1
0.706
EDJ-MED-f893e2a1-1
0.706
MAT-POS-e6dd326d-4
0.699
MAT-POS-e6dd326d-9
0.699
EDJ-MED-8c98ee63-1
0.694
EDJ-MED-f893e2a1-7
0.694
KAD-UNI-b13decd3-9
0.693
EDJ-MED-424a8a89-2
0.692
EDJ-MED-f893e2a1-3
0.692
MAT-POS-e6dd326d-14
0.691
KAD-UNI-b13decd3-10
0.690
MAT-POS-e6dd326d-12
0.686
MAT-POS-e6dd326d-6
0.679
EDJ-MED-15e90dfc-6
0.679
KAD-UNI-cb0f2bbc-22
0.679
MAT-POS-61f37a1a-3
0.679
KAD-UNI-cb0f2bbc-18
0.678
MAT-POS-61f37a1a-9
0.678
EDJ-MED-f893e2a1-2
0.676
MAT-POS-e6dd326d-5
0.673
KAD-UNI-b13decd3-7
0.672
KAD-UNI-b13decd3-11
0.672
MAT-POS-e6dd326d-8
0.670
KAD-UNI-cb0f2bbc-13
0.669
MAT-POS-24589f88-4
0.669
KAD-UNI-cb0f2bbc-24
0.669
KAD-UNI-b13decd3-5
0.669
MAT-POS-61f37a1a-7
0.669
MAT-POS-61f37a1a-15
0.669
KAD-UNI-cb0f2bbc-23
0.667
MAT-POS-45b13633-1
0.667
MAT-POS-7174c657-1
0.667
MAT-POS-24589f88-13
0.667
MAT-POS-2bb0cf2b-1
0.667
EDJ-MED-40433386-10
0.667
EDJ-MED-f893e2a1-4
0.667
EDG-MED-971238d3-5
0.667
MAT-POS-e6dd326d-1
0.667
KAD-UNI-cb0f2bbc-17
0.664
MAT-POS-61f37a1a-8
0.664
MAT-POS-61f37a1a-6
0.664
KAD-UNI-cb0f2bbc-16
0.664
KAD-UNI-cb0f2bbc-15
0.664
KAD-UNI-b13decd3-2
0.661
KAD-UNI-cb0f2bbc-6
0.661
MAT-POS-24589f88-8
0.661
KAD-UNI-cb0f2bbc-2
0.661
MAT-POS-e6dd326d-7
0.661
EDJ-MED-4c7486ba-4
0.661
EDG-MED-70ae9412-2
0.661
EDJ-MED-4c7486ba-1
0.661
KAD-UNI-cb0f2bbc-21
0.659
MAT-POS-24589f88-10
0.659
EDJ-MED-f893e2a1-5
0.658
MAT-POS-7174c657-4
0.658
MAT-POS-24589f88-9
0.658
KAD-UNI-b13decd3-4
0.658
KAD-UNI-b13decd3-12
0.658
RAL-THA-e002e396-11
0.657
EDG-MED-971238d3-2
0.657
MAT-POS-9db1e783-2
0.657
EDJ-MED-40433386-4
0.655
RAL-THA-58fba2bc-3
0.654
EDG-MED-971238d3-6
0.654
EDG-MED-971238d3-3
0.654
DAR-DIA-ecdbc7dd-16
0.651
KAD-UNI-cb0f2bbc-20
0.650
KAD-UNI-b13decd3-1
0.650
MAT-POS-5f1400cf-1
0.650
EDJ-MED-f893e2a1-6
0.649
DAR-DIA-ecdbc7dd-13
0.648
MAT-POS-e6dd326d-3
0.648
MAT-POS-45b13633-3
0.648
KAD-UNI-cb0f2bbc-7
0.648
MAT-POS-a3f7f96a-6
0.648
KAD-UNI-cb0f2bbc-4
0.645
MAT-POS-a3f7f96a-9
0.645
KAD-UNI-cb0f2bbc-9
0.645
ALP-UNI-0676e700-28
0.644
EDJ-MED-4c7486ba-2
0.643
EDJ-MED-4c7486ba-5
0.643
EDG-MED-70ae9412-1
0.643
RAL-THA-e002e396-1
0.642