Molecule Details
| Molecular Properties | |
| SMILES: | COC[C@]1(C(=O)Nc2cncc3ccccc23)CCOc2cc(Cl)c(Cl)cc21 |
| MW: | 416.07 |
| Fraction sp3: | 0.24 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 60.45 |
| cLogP: | 4.85 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 3.36960502371567 |
| Order Status | |
| Shipped: | 2021-03-03 |
EDJ-MED-37aac4bd-2
1.000
MAT-POS-932d1078-4
1.000
RAL-THA-e002e396-11
0.728
MAT-POS-78e1d523-3
0.645
EDJ-MED-d08626de-3
0.645
MAT-POS-78e1d523-4
0.645
EDJ-MED-d08626de-4
0.645
EDJ-MED-d08626de-5
0.645
EDJ-MED-37aac4bd-1
0.645
EDJ-MED-37aac4bd-6
0.639
EDJ-MED-37aac4bd-3
0.622
RAL-THA-e002e396-12
0.604
EDJ-MED-4f704dc9-2
0.586
MAT-POS-f9802937-5
0.584
MAT-POS-f9802937-6
0.584
MAT-POS-5d65ec79-2
0.584
ALP-POS-9c80c481-1
0.581
EDJ-MED-28ec730d-2
0.578
MAT-POS-45b13633-5
0.578
RAL-THA-e002e396-13
0.577
EDJ-MED-424a8a89-1
0.571
EDJ-MED-15e90dfc-3
0.571
MAT-POS-fc9ede84-1
0.570
MAT-POS-e6dd326d-1
0.566
MAT-POS-45b13633-1
0.566
EDG-MED-971238d3-5
0.566
MAT-POS-2bb0cf2b-1
0.566
MAT-POS-45b13633-3
0.564
MAT-POS-e6dd326d-3
0.564
EDJ-MED-28ec730d-1
0.562
MAT-POS-e6dd326d-2
0.560
MAT-POS-45b13633-2
0.560
MAT-POS-e6dd326d-10
0.557
EDJ-MED-fcba3f31-5
0.556
EDJ-MED-fcba3f31-4
0.556
EDJ-MED-8c98ee63-1
0.556
MAT-POS-9db1e783-2
0.556
EDG-MED-971238d3-2
0.556
RAL-THA-58fba2bc-1
0.554
EDG-MED-971238d3-10
0.554
MAT-POS-993cdc78-1
0.554
MAT-POS-993cdc78-2
0.554
ALP-POS-fe871b40-11
0.554
MAT-POS-45b13633-4
0.554
EDJ-MED-f893e2a1-8
0.553
MAT-POS-e6dd326d-6
0.552
EDJ-MED-fcba3f31-2
0.550
MAT-POS-f9802937-4
0.548
MAT-POS-5d65ec79-1
0.548
MAT-POS-f9802937-3
0.548
EDJ-MED-d203f206-20
0.545
EDJ-MED-fcba3f31-8
0.545
EDJ-MED-00143744-2
0.545
EDJ-MED-fcba3f31-7
0.545
RAL-THA-e002e396-2
0.544
RAL-THA-e002e396-1
0.544
EDJ-MED-fcba3f31-3
0.541
EDG-MED-971238d3-9
0.539
JAG-UCB-706446eb-3
0.539
EDG-MED-971238d3-3
0.539
EDG-MED-971238d3-6
0.539
RAL-THA-58fba2bc-3
0.539
EDJ-MED-60df06f3-1
0.539
EDJ-MED-fcba3f31-6
0.539
EDJ-MED-fcba3f31-1
0.539
EDJ-MED-00143744-1
0.539
MAT-POS-e6dd326d-4
0.538
MAT-POS-e6dd326d-9
0.538
EDJ-MED-4c7486ba-4
0.537
EDJ-MED-4c7486ba-1
0.537
EDG-MED-70ae9412-2
0.537
EDJ-MED-fcba3f31-10
0.536
DAR-DIA-ecdbc7dd-13
0.534
EDJ-MED-424a8a89-2
0.533
MAT-POS-e6dd326d-5
0.533
CHO-MSK-a31cca77-4
0.532
EDJ-MED-d203f206-2
0.532
LEE-CAM-7ab9b158-1
0.530
EDJ-MED-fcba3f31-9
0.530
ALP-POS-477dc5b7-3
0.528
MAT-POS-e6dd326d-12
0.528
MAT-POS-e6dd326d-8
0.528
MAT-POS-e6dd326d-11
0.528
RAL-THA-e002e396-5
0.528
DAR-DIA-6a508060-13
0.528
JAG-UCB-706446eb-4
0.528
MAT-POS-e6dd326d-13
0.528
JAG-UCB-706446eb-2
0.528
EDG-MED-971238d3-7
0.524
DAR-DIA-ecdbc7dd-4
0.524
RAL-THA-e002e396-6
0.524
EDG-MED-971238d3-8
0.524
RAL-THA-e002e396-7
0.523
EDJ-MED-15e90dfc-7
0.523
MAT-POS-e6dd326d-7
0.523
EDJ-MED-d203f206-13
0.522
EDJ-MED-d203f206-12
0.522
MAT-POS-78e1d523-2
0.519
CHO-MSK-a31cca77-1
0.518
EDJ-MED-d203f206-1
0.518