Molecule Details
| Molecular Properties | |
| SMILES: | NC(=O)c1ccn(-c2ccc(CNCC3(C(=O)Nc4cncc5ccccc45)CCOc4ccc(Cl)cc43)cn2)n1 |
| MW: | 567.18 |
| Fraction sp3: | 0.17 |
| HBA: | 8 |
| HBD: | 3 |
| Rotatable Bonds: | 8 |
| TPSA: | 137.05 |
| cLogP: | 4.02 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 6.40365689662449 |
| Order Status | |
| Shipped: | 2021-05-06 |
MAT-POS-24589f88-8
1.000
MAT-POS-5f1400cf-2
0.705
KAD-UNI-b13decd3-6
0.705
KAD-UNI-b13decd3-3
0.675
MAT-POS-24589f88-12
0.675
KAD-UNI-cb0f2bbc-18
0.675
MAT-POS-61f37a1a-9
0.675
KAD-UNI-b13decd3-10
0.672
KAD-UNI-cb0f2bbc-16
0.661
MAT-POS-61f37a1a-6
0.661
EDJ-MED-8c98ee63-2
0.661
KAD-UNI-cb0f2bbc-2
0.659
KAD-UNI-b13decd3-4
0.656
MAT-POS-7174c657-4
0.656
MAT-POS-24589f88-9
0.656
EDJ-MED-f893e2a1-8
0.649
EDJ-MED-15e90dfc-4
0.645
EDJ-MED-f893e2a1-5
0.643
KAD-UNI-b13decd3-7
0.643
KAD-UNI-cb0f2bbc-9
0.643
MAT-POS-a3f7f96a-9
0.643
KAD-UNI-cb0f2bbc-11
0.638
MAT-POS-a3f7f96a-7
0.638
MAT-POS-e6dd326d-11
0.638
EDJ-MED-15e90dfc-3
0.636
EDJ-MED-424a8a89-1
0.636
EDJ-MED-15e90dfc-1
0.631
EDJ-MED-f893e2a1-1
0.631
KAD-UNI-b13decd3-12
0.630
EDJ-MED-424a8a89-2
0.629
MAT-POS-e6dd326d-2
0.628
MAT-POS-45b13633-2
0.628
KAD-UNI-cb0f2bbc-23
0.625
MAT-POS-7174c657-1
0.625
MAT-POS-24589f88-13
0.625
EDJ-MED-f893e2a1-4
0.623
KAD-UNI-b13decd3-9
0.622
MAT-POS-e6dd326d-13
0.622
MAT-POS-e6dd326d-10
0.622
MAT-POS-a3f7f96a-6
0.621
KAD-UNI-cb0f2bbc-19
0.621
KAD-UNI-cb0f2bbc-7
0.621
MAT-POS-a3f7f96a-8
0.621
EDJ-MED-f893e2a1-7
0.621
KAD-UNI-cb0f2bbc-14
0.619
MAT-POS-61f37a1a-10
0.619
MAT-POS-e6dd326d-6
0.619
KAD-UNI-b13decd3-11
0.618
EDJ-MED-f893e2a1-3
0.617
EDJ-MED-15e90dfc-7
0.617
EDJ-MED-f893e2a1-10
0.610
EDJ-MED-40433386-10
0.608
MAT-POS-e6dd326d-4
0.607
MAT-POS-e6dd326d-9
0.607
EDJ-MED-8c98ee63-1
0.607
MAT-POS-2bb0cf2b-1
0.605
EDG-MED-971238d3-5
0.605
MAT-POS-e6dd326d-1
0.605
MAT-POS-45b13633-1
0.605
KAD-UNI-cb0f2bbc-5
0.604
MAT-POS-24589f88-7
0.604
MAT-POS-e6dd326d-7
0.603
KAD-UNI-cb0f2bbc-1
0.600
MAT-POS-24589f88-15
0.600
KAD-UNI-b13decd3-2
0.597
KAD-UNI-cb0f2bbc-15
0.597
MAT-POS-e6dd326d-8
0.597
MAT-POS-e6dd326d-12
0.597
MAT-POS-9db1e783-2
0.596
EDG-MED-971238d3-2
0.596
KAD-UNI-cb0f2bbc-22
0.595
MAT-POS-61f37a1a-3
0.595
DAR-DIA-ecdbc7dd-16
0.595
EDG-MED-971238d3-6
0.595
MAT-POS-61f37a1a-15
0.593
KAD-UNI-cb0f2bbc-13
0.593
MAT-POS-e6dd326d-14
0.592
EDJ-MED-f893e2a1-2
0.592
KAD-UNI-cb0f2bbc-17
0.588
MAT-POS-61f37a1a-8
0.588
MAT-POS-e6dd326d-5
0.587
ALP-UNI-0676e700-11
0.586
EDJ-MED-f893e2a1-9
0.585
EDJ-MED-40433386-4
0.585
EDJ-MED-15e90dfc-5
0.585
KAD-UNI-b13decd3-8
0.585
MAT-POS-61f37a1a-11
0.585
KAD-UNI-cb0f2bbc-4
0.584
EDJ-MED-f893e2a1-6
0.583
EDJ-MED-15e90dfc-6
0.583
EDG-MED-971238d3-3
0.581
RAL-THA-58fba2bc-3
0.581
KAD-UNI-cb0f2bbc-24
0.581
KAD-UNI-b13decd3-5
0.581
MAT-POS-61f37a1a-7
0.581
MAT-POS-24589f88-4
0.581
EDG-MED-971238d3-7
0.580
EDJ-MED-4c7486ba-2
0.578
EDJ-MED-4c7486ba-5
0.578
EDG-MED-70ae9412-1
0.578