Molecule Details
| Molecular Properties | |
| SMILES: | CS(=O)(=O)Oc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1 |
| 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: | 2.67417367727245 |
| Order Status | |
| Ordered: | 2021-08-25 |
| Synthesis Location: | enamine |
| Shipped: | 2021-09-29 |
Sulfonic acid
Sulfonic acid esters
S/PO3 groups
Hetero_hetero
aromatic Sulfonic ester
sulphates
EDG-MED-10fcb19e-1
PET-UNK-8df914d1-1
0.770
EDJ-MED-00c1612e-1
0.770
PET-UNK-7fb4f80a-1
0.713
MAT-POS-90fd5f68-24
0.700
MAT-POS-90fd5f68-23
0.683
MAT-POS-90fd5f68-31
0.679
MAT-POS-90fd5f68-27
0.667
MAT-POS-90fd5f68-30
0.659
MAT-POS-90fd5f68-33
0.655
MAT-POS-90fd5f68-39
0.654
RUB-POS-1325a9ea-4
0.654
MAT-POS-90fd5f68-36
0.651
MAT-POS-90fd5f68-35
0.646
MAT-POS-90fd5f68-28
0.643
MAT-POS-90fd5f68-29
0.642
PET-UNK-7fb4f80a-3
0.635
MAT-POS-90fd5f68-40
0.633
MAT-POS-90fd5f68-25
0.630
MAT-POS-90fd5f68-22
0.630
PET-UNK-d899bab6-1
0.630
PET-UNK-7fb4f80a-4
0.628
MAT-POS-90fd5f68-37
0.625
MAT-POS-c20a539d-7
0.624
MAT-POS-90fd5f68-20
0.622
MAT-POS-90fd5f68-19
0.617
MAT-POS-90fd5f68-32
0.615
MAT-POS-90fd5f68-21
0.607
MAT-POS-90fd5f68-34
0.596
ADA-UCB-6c2cb422-1
0.590
MAT-POS-f7918075-5
0.588
MAT-POS-c20a539d-2
0.585
PET-UNK-c6bcc80b-7
0.575
MAT-POS-c20a539d-1
0.571
PET-UNK-b38839dc-2
0.565
PET-UNK-f4e47ebd-1
0.565
MAT-POS-90fd5f68-12
0.563
MAT-POS-bb423b95-1
0.562
MAT-POS-90fd5f68-26
0.562
MAT-POS-29385cc1-2
0.558
MAT-POS-29385cc1-1
0.552
MAT-POS-90fd5f68-9
0.552
PET-UNK-b38839dc-1
0.552
MAK-UNK-ffc90da7-6
0.547
PET-UNK-d899bab6-3
0.547
PET-UNK-d899bab6-2
0.540
MAT-POS-90fd5f68-6
0.540
MAT-POS-90fd5f68-10
0.539
MAT-POS-90fd5f68-18
0.539
MAT-POS-29385cc1-3
0.536
MAT-POS-c20a539d-6
0.536
MAT-POS-90fd5f68-4
0.535
EDJ-MED-c5ca5386-2
0.535
MAT-POS-c20a539d-3
0.534
MAT-POS-c20a539d-8
0.534
MAT-POS-90fd5f68-17
0.534
MAT-POS-bb423b95-8
0.530
PET-UNK-f4e47ebd-2
0.529
MAT-POS-90fd5f68-11
0.529
MAT-POS-90fd5f68-41
0.529
MAT-POS-90fd5f68-13
0.527
JIN-POS-6dc588a4-11
0.524
MAT-POS-8feb6e35-2
0.523
MIC-UNK-fbef42b7-2
0.522
MIC-UNK-9dc9fcd1-5
0.521
MAT-POS-c20a539d-4
0.517
MAT-POS-c20a539d-5
0.517
MAT-POS-90fd5f68-7
0.517
MAT-POS-8feb6e35-1
0.517
PET-UNK-6314f867-2
0.517
MIC-UNK-9dc9fcd1-1
0.517
MAT-POS-90fd5f68-38
0.512
MAT-POS-90fd5f68-5
0.511
MIC-UNK-9dc9fcd1-3
0.511
MAT-POS-90fd5f68-1
0.506
MAT-POS-90fd5f68-2
0.506
JIN-POS-6dc588a4-18
0.500
MIC-UNK-9dc9fcd1-2
0.500
MIC-UNK-4fbd4db9-5
0.500
MAT-POS-90fd5f68-3
0.500
MAT-POS-c0609ef7-1
0.500
MIC-UNK-4fbd4db9-6
0.500
MAT-POS-90fd5f68-15
0.500
MIC-UNK-9dc9fcd1-4
0.495
MIC-UNK-fbef42b7-1
0.495
MAT-POS-29385cc1-4
0.494
EDJ-MED-c5ca5386-1
0.494
PET-UNK-b1ef24dc-3
0.494
JIN-POS-6dc588a4-12
0.494
PET-UNK-b1ef24dc-4
0.494
RUB-POS-1325a9ea-5
0.494
TRY-UNI-714a760b-3
0.494
RUB-POS-1325a9ea-15
0.488
MIC-UNK-7574fcc6-1
0.488
MAT-POS-bb423b95-9
0.488
PET-UNK-8df914d1-3
0.487
MIC-UNK-4fbd4db9-2
0.485
MIC-UNK-4fbd4db9-1
0.485
RUB-POS-1325a9ea-9
0.483
MIC-UNK-50cce87d-4
0.483
RUB-POS-1325a9ea-12
0.482