Molecule Details
| Molecular Properties | |
| SMILES: | CCS(=O)(=O)Nc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1 |
| MW: | 403.08 |
| Fraction sp3: | 0.16 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 6 |
| TPSA: | 88.16 |
| cLogP: | 3.83 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 1.01506842540864 |
| Order Status | |
| Ordered: | 2021-08-07 |
| Synthesis Location: | enamine |
| Shipped: | 2021-09-12 |
Hetero_hetero
MAT-POS-90fd5f68-30
0.816
MAT-POS-90fd5f68-22
0.718
RUB-POS-1325a9ea-4
0.637
MAT-POS-90fd5f68-35
0.631
MAT-POS-90fd5f68-27
0.631
MAT-POS-90fd5f68-29
0.627
PET-UNK-7fb4f80a-2
0.624
EDJ-MED-00c1612e-1
0.622
PET-UNK-8df914d1-1
0.622
MAT-POS-90fd5f68-40
0.617
MAT-POS-90fd5f68-36
0.616
MAT-POS-90fd5f68-25
0.614
PET-UNK-d899bab6-1
0.614
MAT-POS-90fd5f68-37
0.610
MAT-POS-90fd5f68-28
0.609
MAT-POS-90fd5f68-20
0.607
MAT-POS-90fd5f68-12
0.605
MAT-POS-90fd5f68-19
0.602
MAT-POS-90fd5f68-39
0.600
MAT-POS-90fd5f68-21
0.593
ADA-UCB-6c2cb422-1
0.575
MAT-POS-f7918075-5
0.573
MAT-POS-90fd5f68-24
0.568
PET-UNK-c6bcc80b-7
0.562
MAT-POS-90fd5f68-4
0.558
MAT-POS-90fd5f68-23
0.556
MAT-POS-90fd5f68-31
0.554
MAT-POS-c20a539d-2
0.553
MAT-POS-90fd5f68-26
0.549
MAT-POS-c20a539d-8
0.539
MAT-POS-90fd5f68-33
0.537
MAK-UNK-ffc90da7-6
0.536
PET-UNK-b38839dc-2
0.534
PET-UNK-d899bab6-3
0.534
PET-UNK-f4e47ebd-1
0.534
PET-UNK-7fb4f80a-3
0.533
MAT-POS-bb423b95-1
0.530
PET-UNK-d899bab6-2
0.528
MAT-POS-29385cc1-2
0.528
PET-UNK-7fb4f80a-4
0.527
MAT-POS-29385cc1-3
0.523
MAT-POS-c20a539d-6
0.523
MAT-POS-c20a539d-3
0.522
MAT-POS-29385cc1-1
0.522
MIC-UNK-9dc9fcd1-1
0.522
MAT-POS-90fd5f68-9
0.522
MAT-POS-90fd5f68-17
0.522
PET-UNK-b38839dc-1
0.522
MAT-POS-bb423b95-8
0.518
MAT-POS-90fd5f68-11
0.517
JIN-POS-6dc588a4-11
0.512
PET-UNK-7fb4f80a-1
0.511
MAT-POS-90fd5f68-10
0.511
MAT-POS-90fd5f68-18
0.511
MAT-POS-c20a539d-4
0.506
MAT-POS-8feb6e35-1
0.506
MAT-POS-c20a539d-1
0.506
MAT-POS-90fd5f68-7
0.506
EDJ-MED-c5ca5386-2
0.506
MAT-POS-90fd5f68-32
0.505
MAT-POS-419aafdb-1
0.505
PET-UNK-f4e47ebd-2
0.500
MAT-POS-90fd5f68-38
0.500
MAT-POS-90fd5f68-41
0.500
MIC-UNK-fbef42b7-2
0.495
MAT-POS-8feb6e35-2
0.495
MAT-POS-90fd5f68-2
0.495
MAT-POS-90fd5f68-1
0.494
MAT-POS-90fd5f68-34
0.490
MIC-UNK-9dc9fcd1-2
0.489
MAT-POS-90fd5f68-3
0.489
PET-UNK-6314f867-2
0.489
MAT-POS-c20a539d-5
0.489
MAT-POS-c0609ef7-1
0.489
MIC-UNK-9dc9fcd1-4
0.485
MIC-UNK-9dc9fcd1-3
0.485
MIC-UNK-fbef42b7-1
0.484
MAT-POS-29385cc1-4
0.483
RUB-POS-1325a9ea-5
0.483
MIC-UNK-50cce87d-3
0.483
EDJ-MED-c5ca5386-1
0.483
PET-UNK-b1ef24dc-3
0.483
RUB-POS-1325a9ea-3
0.483
MIC-UNK-9dc9fcd1-5
0.480
MAT-POS-90fd5f68-6
0.478
RUB-POS-1325a9ea-15
0.477
MIC-UNK-7574fcc6-1
0.477
MAT-POS-f7918075-3
0.477
MIC-UNK-08cd9c58-1
0.477
MAT-POS-bb423b95-9
0.477
PET-UNK-8df914d1-3
0.476
MIC-UNK-4fbd4db9-2
0.475
MIC-UNK-4fbd4db9-6
0.475
MIC-UNK-4fbd4db9-1
0.475
MIC-UNK-4fbd4db9-5
0.475
JIN-POS-6dc588a4-18
0.472
JIN-POS-6dc588a4-13
0.471
JIN-POS-6dc588a4-22
0.471
PET-UNK-7f7e354d-7
0.471
RUB-POS-1325a9ea-13
0.471