Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)COc1ccc(CNCC2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)cc1OC |
| MW: | 574.2 |
| Fraction sp3: | 0.26 |
| HBA: | 7 |
| HBD: | 3 |
| Rotatable Bonds: | 10 |
| TPSA: | 110.81 |
| cLogP: | 4.47 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 11.7582471215303 |
| Order Status | |
| Shipped: | 2021-05-06 |
MAT-POS-24589f88-7
1.000
KAD-UNI-cb0f2bbc-9
0.790
MAT-POS-a3f7f96a-9
0.790
KAD-UNI-cb0f2bbc-16
0.738
MAT-POS-61f37a1a-6
0.738
KAD-UNI-b13decd3-10
0.707
MAT-POS-5f1400cf-2
0.672
KAD-UNI-cb0f2bbc-23
0.672
KAD-UNI-b13decd3-6
0.672
MAT-POS-7174c657-1
0.672
MAT-POS-24589f88-13
0.672
EDJ-MED-15e90dfc-3
0.658
EDJ-MED-424a8a89-1
0.658
MAT-POS-e6dd326d-10
0.658
EDJ-MED-f893e2a1-8
0.658
KAD-UNI-b13decd3-3
0.656
MAT-POS-24589f88-12
0.656
EDJ-MED-15e90dfc-4
0.653
MAT-POS-e6dd326d-2
0.652
MAT-POS-45b13633-2
0.652
KAD-UNI-b13decd3-4
0.651
KAD-UNI-b13decd3-12
0.651
MAT-POS-7174c657-4
0.651
MAT-POS-24589f88-9
0.651
MAT-POS-e6dd326d-12
0.647
KAD-UNI-cb0f2bbc-18
0.643
MAT-POS-61f37a1a-9
0.643
EDJ-MED-8c98ee63-1
0.642
MAT-POS-e6dd326d-6
0.641
EDJ-MED-15e90dfc-1
0.639
EDJ-MED-f893e2a1-1
0.639
MAT-POS-e6dd326d-11
0.632
MAT-POS-e6dd326d-13
0.630
MAT-POS-e6dd326d-9
0.629
EDJ-MED-8c98ee63-2
0.629
EDJ-MED-f893e2a1-5
0.626
KAD-UNI-b13decd3-7
0.626
EDJ-MED-f893e2a1-3
0.625
EDJ-MED-15e90dfc-7
0.625
RAL-THA-e002e396-11
0.621
EDJ-MED-f893e2a1-7
0.616
KAD-UNI-cb0f2bbc-2
0.615
MAT-POS-e6dd326d-4
0.615
KAD-UNI-b13decd3-11
0.614
EDG-MED-70ae9412-2
0.612
EDJ-MED-4c7486ba-1
0.612
ALP-POS-9c80c481-1
0.612
MAT-POS-e6dd326d-7
0.612
EDJ-MED-4c7486ba-4
0.612
EDJ-MED-424a8a89-2
0.610
EDJ-MED-40433386-4
0.607
MAT-POS-e6dd326d-8
0.605
EDJ-MED-f893e2a1-10
0.605
EDJ-MED-f893e2a1-4
0.605
KAD-UNI-cb0f2bbc-15
0.605
KAD-UNI-b13decd3-9
0.605
MAT-POS-a3f7f96a-6
0.604
KAD-UNI-cb0f2bbc-6
0.604
MAT-POS-24589f88-8
0.604
KAD-UNI-cb0f2bbc-19
0.604
KAD-UNI-cb0f2bbc-7
0.604
MAT-POS-a3f7f96a-8
0.604
EDJ-MED-40433386-10
0.603
EDJ-MED-f893e2a1-6
0.603
MAT-POS-f9802937-5
0.602
MAT-POS-f9802937-6
0.602
MAT-POS-5d65ec79-2
0.602
KAD-UNI-cb0f2bbc-11
0.597
MAT-POS-a3f7f96a-7
0.597
EDJ-MED-28ec730d-2
0.597
KAD-UNI-cb0f2bbc-1
0.596
MAT-POS-24589f88-15
0.596
MAT-POS-e6dd326d-5
0.595
KAD-UNI-b13decd3-8
0.593
MAT-POS-61f37a1a-11
0.593
ALP-UNI-0676e700-21
0.592
MAT-POS-9db1e783-2
0.591
EDG-MED-971238d3-2
0.591
KAD-UNI-cb0f2bbc-14
0.591
MAT-POS-61f37a1a-10
0.591
ALP-UNI-0676e700-4
0.591
KAD-UNI-cb0f2bbc-10
0.591
MAT-POS-61f37a1a-1
0.591
EDJ-MED-15e90dfc-6
0.591
DAR-DIA-ecdbc7dd-16
0.590
EDG-MED-971238d3-3
0.590
RAL-THA-58fba2bc-3
0.590
EDJ-MED-f893e2a1-2
0.587
MAT-POS-2bb0cf2b-1
0.586
EDG-MED-971238d3-5
0.586
MAT-POS-e6dd326d-1
0.586
MAT-POS-45b13633-1
0.586
KAD-UNI-cb0f2bbc-17
0.584
MAT-POS-61f37a1a-8
0.584
MAT-POS-45b13633-5
0.583
ALP-UNI-0676e700-11
0.581
KAD-UNI-b13decd3-2
0.581
EDJ-MED-15e90dfc-5
0.581
RAL-THA-e002e396-12
0.579
KAD-UNI-cb0f2bbc-22
0.578