Molecule Details
| Molecular Properties | |
| SMILES: | CN(C)CCOc1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
| MW: | 383.14 |
| Fraction sp3: | 0.24 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 7 |
| TPSA: | 54.46 |
| cLogP: | 4.01 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 2.82911870792129 |
| Order Status | |
| Ordered: | 2021-08-25 |
| Synthesis Location: | enamine |
| Shipped: | 2021-09-29 |
MAT-POS-90fd5f68-15
0.852
MAT-POS-90fd5f68-31
0.729
MAT-POS-90fd5f68-5
0.706
MAT-POS-c20a539d-1
0.704
MAT-POS-90fd5f68-14
0.692
MAT-POS-90fd5f68-16
0.677
MAT-POS-90fd5f68-6
0.667
PET-UNK-7fb4f80a-1
0.663
MAT-POS-90fd5f68-33
0.630
MAT-POS-90fd5f68-18
0.625
MAT-POS-90fd5f68-7
0.624
MAT-POS-90fd5f68-3
0.621
MAT-POS-29385cc1-3
0.607
MAT-POS-c20a539d-6
0.607
MAT-POS-90fd5f68-4
0.605
MAT-POS-bb423b95-8
0.602
MAT-POS-90fd5f68-38
0.600
MAT-POS-90fd5f68-11
0.598
MAT-POS-90fd5f68-41
0.598
JIN-POS-6dc588a4-11
0.595
MAT-POS-90fd5f68-1
0.593
MIC-UNK-9dc9fcd1-3
0.591
MAT-POS-90fd5f68-2
0.591
MAT-POS-90fd5f68-10
0.589
MAT-POS-c20a539d-4
0.586
MIC-UNK-9dc9fcd1-5
0.585
MAT-POS-90fd5f68-9
0.584
MAT-POS-c20a539d-8
0.584
MAT-POS-90fd5f68-17
0.584
MAT-POS-90fd5f68-12
0.578
MAT-POS-c20a539d-5
0.568
MAT-POS-c0609ef7-1
0.568
PET-UNK-6314f867-2
0.568
MIC-UNK-9dc9fcd1-1
0.567
MAT-POS-90fd5f68-8
0.565
MAT-POS-c20a539d-2
0.563
PET-UNK-d899bab6-3
0.562
PET-UNK-8df914d1-1
0.557
EDJ-MED-00c1612e-1
0.557
MIC-UNK-fbef42b7-2
0.553
MIC-UNK-9dc9fcd1-2
0.548
ADA-UCB-6c2cb422-1
0.548
MAK-UNK-ffc90da7-8
0.546
PET-UNK-f4e47ebd-2
0.544
PET-UNK-b38839dc-2
0.544
MIC-UNK-fbef42b7-1
0.543
MIC-UNK-9dc9fcd1-4
0.542
MAT-POS-bb423b95-1
0.541
PET-UNK-d899bab6-2
0.538
MAT-POS-90fd5f68-25
0.533
PET-UNK-d899bab6-1
0.533
MAT-POS-90fd5f68-23
0.532
MIC-UNK-4fbd4db9-1
0.531
MAK-UNK-ffc90da7-3
0.531
MIC-UNK-4fbd4db9-5
0.531
MAK-UNK-ffc90da7-5
0.531
PET-UNK-7fb4f80a-2
0.527
MAT-POS-29385cc1-2
0.522
MAT-POS-29385cc1-1
0.516
PET-UNK-b38839dc-1
0.516
MAT-POS-c20a539d-3
0.516
MIC-UNK-4fbd4db9-3
0.515
MAT-POS-90fd5f68-32
0.515
MIC-UNK-4fbd4db9-2
0.515
MIC-UNK-4fbd4db9-6
0.515
PET-UNK-f4e47ebd-1
0.511
MAT-POS-90fd5f68-24
0.511
MIC-UNK-4fbd4db9-4
0.510
MAT-POS-90fd5f68-36
0.505
RUB-POS-1325a9ea-4
0.500
MAT-POS-90fd5f68-21
0.500
MAT-POS-90fd5f68-34
0.500
PET-UNK-7fb4f80a-3
0.495
MAT-POS-f7918075-5
0.494
PET-UNK-7fb4f80a-4
0.490
PET-UNK-c6bcc80b-7
0.490
MAT-POS-90fd5f68-39
0.489
MAT-POS-90fd5f68-28
0.485
MAT-POS-90fd5f68-22
0.484
MAT-POS-90fd5f68-40
0.484
JIN-POS-6dc588a4-22
0.483
MAT-POS-90fd5f68-20
0.479
MAT-POS-90fd5f68-37
0.478
PET-UNK-b1ef24dc-4
0.478
JIN-POS-6dc588a4-12
0.478
MAT-POS-90fd5f68-19
0.473
MAK-UNK-ffc90da7-9
0.473
MAT-POS-90fd5f68-35
0.469
MAT-POS-90fd5f68-27
0.469
JIN-POS-6dc588a4-18
0.467
MAT-POS-90fd5f68-30
0.464
MAT-POS-90fd5f68-29
0.463
RUB-POS-1325a9ea-5
0.462
MAT-POS-bb423b95-2
0.462
RUB-POS-1325a9ea-15
0.457
MIC-UNK-08cd9c58-1
0.457
MAT-POS-f7918075-3
0.457
MIC-UNK-51049f1a-6
0.456
MAT-POS-bb423b95-9
0.456
MAT-POS-c20a539d-7
0.455