Molecule Details
| Molecular Properties | |
| SMILES: | CN(C)C(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
| MW: | 367.11 |
| Fraction sp3: | 0.15 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 62.3 |
| cLogP: | 3.77 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 2.44161524121703 |
| Order Status | |
| Ordered: | 2021-08-25 |
| Synthesis Location: | enamine |
| Shipped: | 2021-09-29 |
MAT-POS-90fd5f68-38
0.743
MAT-POS-90fd5f68-1
0.733
MAT-POS-90fd5f68-2
0.727
MAT-POS-90fd5f68-7
0.701
MAT-POS-90fd5f68-21
0.696
MAT-POS-90fd5f68-8
0.671
MAT-POS-29385cc1-3
0.662
MAT-POS-c20a539d-6
0.662
MAT-POS-90fd5f68-10
0.659
MAT-POS-c20a539d-1
0.658
MAT-POS-bb423b95-8
0.658
JIN-POS-6dc588a4-11
0.649
MAT-POS-90fd5f68-18
0.639
MAT-POS-90fd5f68-4
0.637
MAT-POS-c20a539d-4
0.637
MAT-POS-c20a539d-8
0.634
MAT-POS-90fd5f68-41
0.630
MAT-POS-90fd5f68-6
0.622
MAT-POS-90fd5f68-13
0.621
PET-UNK-7fb4f80a-1
0.619
MAT-POS-c0609ef7-1
0.617
MAT-POS-c20a539d-5
0.617
PET-UNK-6314f867-2
0.617
MAT-POS-90fd5f68-9
0.614
MAT-POS-90fd5f68-17
0.614
MAT-POS-90fd5f68-11
0.610
MAT-POS-90fd5f68-12
0.607
MIC-UNK-4fbd4db9-1
0.607
MAT-POS-90fd5f68-15
0.607
MIC-UNK-9dc9fcd1-3
0.602
MIC-UNK-fbef42b7-2
0.598
ADA-UCB-6c2cb422-1
0.597
MIC-UNK-9dc9fcd1-5
0.596
MIC-UNK-9dc9fcd1-1
0.595
MAT-POS-c20a539d-2
0.593
MAT-POS-bb423b95-1
0.590
MIC-UNK-4fbd4db9-5
0.589
MIC-UNK-4fbd4db9-3
0.589
MIC-UNK-fbef42b7-1
0.586
MAT-POS-90fd5f68-5
0.586
PET-UNK-d899bab6-2
0.583
MAT-POS-90fd5f68-25
0.578
PET-UNK-d899bab6-1
0.578
MIC-UNK-9dc9fcd1-2
0.575
PET-UNK-f4e47ebd-2
0.571
PET-UNK-d899bab6-3
0.571
MAK-UNK-ffc90da7-5
0.571
MAK-UNK-ffc90da7-8
0.571
MIC-UNK-9dc9fcd1-4
0.567
MAT-POS-c20a539d-3
0.558
MAK-UNK-ffc90da7-3
0.554
MAT-POS-90fd5f68-37
0.554
MIC-UNK-4fbd4db9-2
0.553
MIC-UNK-4fbd4db9-6
0.553
MAT-POS-90fd5f68-20
0.553
PET-UNK-b38839dc-2
0.553
MAT-POS-90fd5f68-19
0.548
MAT-POS-90fd5f68-14
0.547
MIC-UNK-4fbd4db9-4
0.547
MAT-POS-29385cc1-2
0.547
RUB-POS-1325a9ea-4
0.542
MAT-POS-90fd5f68-22
0.541
PET-UNK-b38839dc-1
0.540
MAT-POS-29385cc1-1
0.540
MAT-POS-90fd5f68-28
0.539
MAT-POS-f7918075-5
0.537
MAT-POS-90fd5f68-16
0.536
PET-UNK-8df914d1-1
0.529
EDJ-MED-00c1612e-1
0.529
MAT-POS-90fd5f68-36
0.528
PET-UNK-c6bcc80b-7
0.528
MAT-POS-90fd5f68-40
0.524
JIN-POS-6dc588a4-12
0.518
RUB-POS-1325a9ea-3
0.518
MIC-UNK-50cce87d-3
0.518
PET-UNK-f4e47ebd-1
0.517
MAT-POS-90fd5f68-26
0.516
PET-UNK-7fb4f80a-3
0.516
MIC-UNK-51049f1a-6
0.512
MAT-POS-90fd5f68-39
0.511
PET-UNK-7fb4f80a-4
0.511
MAT-POS-90fd5f68-35
0.506
MAT-POS-90fd5f68-27
0.506
MAT-POS-90fd5f68-31
0.505
MAK-UNK-ffc90da7-9
0.505
RUB-POS-1325a9ea-5
0.500
MAT-POS-90fd5f68-29
0.500
PET-UNK-7fb4f80a-2
0.500
MAT-POS-90fd5f68-30
0.500
RUB-POS-1325a9ea-15
0.494
MAT-POS-bb423b95-9
0.494
EDJ-MED-6ab52e52-1
0.494
MIC-UNK-50cce87d-2
0.494
PET-UNK-8df914d1-3
0.494
MAT-POS-90fd5f68-33
0.490
MAT-POS-c20a539d-7
0.489
MIC-UNK-50cce87d-4
0.488
JIN-POS-6dc588a4-18
0.488
RUB-POS-1325a9ea-9
0.488
JIN-POS-6dc588a4-13
0.488