Molecule Details
| Molecular Properties | |
| SMILES: | CN(C)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1 |
| MW: | 339.11 |
| Fraction sp3: | 0.16 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 45.23 |
| cLogP: | 4.14 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.729186658771126 |
| Order Status | |
| Ordered: | 2021-08-25 |
| Synthesis Location: | enamine |
| Shipped: | 2021-09-29 |
MAT-POS-90fd5f68-25
1.000
MAT-POS-90fd5f68-28
0.763
MAT-POS-90fd5f68-21
0.724
RUB-POS-1325a9ea-4
0.689
MAT-POS-90fd5f68-7
0.684
MAT-POS-90fd5f68-37
0.680
MAT-POS-90fd5f68-20
0.675
EDJ-MED-00c1612e-1
0.671
PET-UNK-8df914d1-1
0.671
MAT-POS-90fd5f68-19
0.671
MAT-POS-90fd5f68-40
0.667
MAT-POS-90fd5f68-36
0.662
MAT-POS-90fd5f68-22
0.662
MAT-POS-90fd5f68-29
0.654
MAT-POS-90fd5f68-31
0.651
MAT-POS-90fd5f68-39
0.646
MAT-POS-90fd5f68-27
0.637
MAT-POS-90fd5f68-35
0.637
PET-UNK-d899bab6-3
0.633
PET-UNK-7fb4f80a-2
0.630
MAT-POS-90fd5f68-30
0.630
MAT-POS-90fd5f68-24
0.630
PET-UNK-d899bab6-2
0.625
ADA-UCB-6c2cb422-1
0.622
MAT-POS-f7918075-5
0.618
MAT-POS-c20a539d-7
0.614
MAT-POS-90fd5f68-33
0.609
MAT-POS-90fd5f68-26
0.607
MAT-POS-c20a539d-3
0.598
MAT-POS-90fd5f68-23
0.595
MAT-POS-c20a539d-2
0.595
MAT-POS-90fd5f68-10
0.583
MAT-POS-90fd5f68-3
0.578
PET-UNK-b38839dc-2
0.573
PET-UNK-f4e47ebd-1
0.573
MAT-POS-bb423b95-1
0.571
MAT-POS-29385cc1-2
0.566
MAT-POS-c20a539d-6
0.562
MAT-POS-29385cc1-3
0.562
MAT-POS-90fd5f68-4
0.561
MAT-POS-29385cc1-1
0.560
PET-UNK-b38839dc-1
0.560
MAT-POS-bb423b95-8
0.557
MAK-UNK-ffc90da7-6
0.554
JIN-POS-6dc588a4-11
0.550
MAT-POS-90fd5f68-18
0.547
PET-UNK-c6bcc80b-7
0.547
MAT-POS-c20a539d-1
0.542
MAT-POS-c20a539d-4
0.542
MAT-POS-c20a539d-8
0.541
MAT-POS-90fd5f68-32
0.538
EDJ-MED-c5ca5386-1
0.537
MAT-POS-90fd5f68-38
0.537
MAT-POS-29385cc1-4
0.537
MAT-POS-90fd5f68-41
0.536
PET-UNK-f4e47ebd-2
0.536
MAT-POS-90fd5f68-11
0.536
MAT-POS-90fd5f68-12
0.535
PET-UNK-7fb4f80a-3
0.534
MAT-POS-90fd5f68-13
0.533
MIC-UNK-7574fcc6-1
0.531
MAT-POS-90fd5f68-1
0.530
MAT-POS-90fd5f68-2
0.529
PET-UNK-7fb4f80a-4
0.528
MAT-POS-c0609ef7-1
0.524
PET-UNK-6314f867-2
0.524
EDJ-MED-c5ca5386-2
0.524
MAT-POS-c20a539d-5
0.524
MAT-POS-90fd5f68-9
0.523
MAT-POS-90fd5f68-17
0.523
MIC-UNK-4fbd4db9-1
0.522
MAT-POS-90fd5f68-34
0.521
MIC-UNK-50cce87d-3
0.519
RUB-POS-1325a9ea-5
0.519
PET-UNK-b1ef24dc-3
0.519
RUB-POS-1325a9ea-3
0.519
JIN-POS-6dc588a4-12
0.519
MIC-UNK-9dc9fcd1-3
0.516
PET-UNK-8df914d1-3
0.513
MIC-UNK-50cce87d-2
0.512
EDJ-MED-6ab52e52-1
0.512
MIC-UNK-51049f1a-6
0.512
MAT-POS-bb423b95-9
0.512
RUB-POS-1325a9ea-15
0.512
MAT-POS-8feb6e35-2
0.512
MAT-POS-90fd5f68-6
0.512
PET-UNK-7fb4f80a-1
0.511
MIC-UNK-fbef42b7-2
0.511
MIC-UNK-9dc9fcd1-5
0.511
PET-UNK-7f7e354d-7
0.506
RUB-POS-1325a9ea-13
0.506
JIN-POS-6dc588a4-22
0.506
PET-UNK-e274cad4-6
0.506
JIN-POS-6dc588a4-13
0.506
JIN-POS-6dc588a4-18
0.506
RUB-POS-1325a9ea-9
0.506
MIC-UNK-50cce87d-4
0.506
MAT-POS-8feb6e35-1
0.506
MIC-UNK-9dc9fcd1-1
0.506
MIC-UNK-4fbd4db9-5
0.505