Molecule Details
| Molecular Properties | |
| SMILES: | CS(=O)(=O)Oc1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
| MW: | 390.04 |
| Fraction sp3: | 0.11 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 85.36 |
| cLogP: | 3.41 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 1.60224148987558 |
| Order Status | |
| Ordered: | 2021-08-25 |
| Synthesis Location: | enamine |
| Shipped: | 2021-10-12 |
Sulfonic acid
Sulfonic acid esters
S/PO3 groups
Hetero_hetero
aromatic Sulfonic ester
sulphates
EDG-MED-10fcb19e-1
MAT-POS-c20a539d-1
0.750
PET-UNK-7fb4f80a-2
0.713
MAT-POS-90fd5f68-6
0.709
MAT-POS-90fd5f68-9
0.679
MAT-POS-90fd5f68-5
0.667
MAT-POS-90fd5f68-13
0.663
MAT-POS-90fd5f68-12
0.651
MAT-POS-90fd5f68-15
0.648
MAT-POS-c20a539d-6
0.646
MAT-POS-29385cc1-3
0.646
MAT-POS-90fd5f68-10
0.643
MAT-POS-bb423b95-8
0.641
MAT-POS-c20a539d-8
0.639
MAT-POS-90fd5f68-17
0.639
MAT-POS-90fd5f68-38
0.637
MAT-POS-90fd5f68-11
0.634
MAT-POS-90fd5f68-41
0.634
JIN-POS-6dc588a4-11
0.633
MAT-POS-90fd5f68-1
0.630
PET-UNK-7fb4f80a-3
0.628
MAT-POS-90fd5f68-2
0.627
MAT-POS-90fd5f68-18
0.624
MAT-POS-c20a539d-4
0.622
MAT-POS-90fd5f68-4
0.622
MAT-POS-90fd5f68-7
0.622
PET-UNK-7fb4f80a-4
0.621
MIC-UNK-fbef42b7-2
0.621
MIC-UNK-9dc9fcd1-1
0.619
MAT-POS-90fd5f68-3
0.619
MAT-POS-c0609ef7-1
0.602
PET-UNK-6314f867-2
0.602
MAT-POS-c20a539d-5
0.602
MAT-POS-90fd5f68-14
0.602
MIC-UNK-9dc9fcd1-2
0.598
MAT-POS-c20a539d-2
0.598
MIC-UNK-4fbd4db9-5
0.593
MIC-UNK-fbef42b7-1
0.591
MAT-POS-90fd5f68-16
0.589
MIC-UNK-9dc9fcd1-3
0.589
MIC-UNK-9dc9fcd1-4
0.589
MIC-UNK-9dc9fcd1-5
0.582
ADA-UCB-6c2cb422-1
0.582
MAT-POS-90fd5f68-8
0.580
MIC-UNK-4fbd4db9-1
0.576
MAT-POS-bb423b95-1
0.575
MIC-UNK-4fbd4db9-6
0.574
PET-UNK-8df914d1-1
0.571
EDJ-MED-00c1612e-1
0.571
PET-UNK-d899bab6-2
0.570
PET-UNK-c6bcc80b-7
0.568
MAK-UNK-ffc90da7-8
0.559
MIC-UNK-4fbd4db9-3
0.559
MAK-UNK-ffc90da7-3
0.559
PET-UNK-f4e47ebd-2
0.558
PET-UNK-b38839dc-2
0.558
MIC-UNK-4fbd4db9-2
0.558
MIC-UNK-4fbd4db9-4
0.552
MAT-POS-29385cc1-2
0.552
MAT-POS-90fd5f68-39
0.552
MAT-POS-90fd5f68-27
0.545
MAT-POS-29385cc1-1
0.545
PET-UNK-b38839dc-1
0.545
MAK-UNK-ffc90da7-5
0.543
MAT-POS-90fd5f68-30
0.539
RUB-POS-1325a9ea-4
0.529
MAT-POS-c20a539d-3
0.528
MAT-POS-90fd5f68-35
0.528
MAT-POS-90fd5f68-28
0.527
MAT-POS-f7918075-5
0.524
PET-UNK-f4e47ebd-1
0.523
MAT-POS-90fd5f68-29
0.523
PET-UNK-d899bab6-3
0.523
MAT-POS-90fd5f68-24
0.522
MAT-POS-90fd5f68-36
0.516
MAT-POS-90fd5f68-40
0.512
PET-UNK-d899bab6-1
0.511
MAT-POS-90fd5f68-25
0.511
MAT-POS-90fd5f68-22
0.511
MAT-POS-c20a539d-7
0.511
MAT-POS-90fd5f68-23
0.511
MAT-POS-90fd5f68-31
0.511
MAT-POS-90fd5f68-37
0.506
MAT-POS-90fd5f68-20
0.506
MAT-POS-90fd5f68-19
0.500
MAK-UNK-ffc90da7-9
0.495
MAT-POS-90fd5f68-33
0.495
MAT-POS-90fd5f68-21
0.495
MAT-POS-8feb6e35-1
0.494
EDJ-MED-c5ca5386-2
0.494
JIN-POS-6dc588a4-18
0.494
JIN-POS-6dc588a4-12
0.488
RUB-POS-1325a9ea-5
0.488
MAT-POS-8feb6e35-2
0.484
RUB-POS-1325a9ea-15
0.483
MIC-UNK-51049f1a-6
0.482
MAT-POS-bb423b95-9
0.482
PET-UNK-8df914d1-3
0.481
RUB-POS-1325a9ea-9
0.477
MIC-UNK-50cce87d-4
0.477
JIN-POS-6dc588a4-13
0.477