Molecule Details
| Molecular Properties | |
| SMILES: | COc1cc2cncc(NC(=O)Cc3cccc(Cl)c3)c2cc1OC |
| MW: | 356.09 |
| Fraction sp3: | 0.16 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 60.45 |
| cLogP: | 4.09 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| Order Status | |
| Ordered: | 2021-08-07 |
| Synthesis Location: | enamine |
| Shipped: | 2021-09-12 |
PET-UNK-b38839dc-2
0.789
MAT-POS-29385cc1-1
0.767
PET-UNK-b38839dc-1
0.767
MAT-POS-29385cc1-2
0.753
MAT-POS-c20a539d-1
0.680
PET-UNK-8df914d1-1
0.667
EDJ-MED-00c1612e-1
0.667
PET-UNK-7fb4f80a-4
0.654
PET-UNK-f4e47ebd-1
0.649
PET-UNK-f4e47ebd-2
0.649
PET-UNK-7fb4f80a-3
0.642
MAT-POS-90fd5f68-39
0.641
MAT-POS-90fd5f68-41
0.628
PET-UNK-d899bab6-2
0.620
RUB-POS-1325a9ea-4
0.618
JIN-POS-6dc588a4-18
0.618
MAT-POS-29385cc1-3
0.618
MAT-POS-c20a539d-6
0.618
MAT-POS-90fd5f68-40
0.618
MAT-POS-bb423b95-8
0.613
MAT-POS-c20a539d-3
0.613
MAT-POS-90fd5f68-38
0.610
MAT-POS-90fd5f68-37
0.610
MAT-POS-90fd5f68-20
0.608
PET-UNK-d899bab6-3
0.608
JIN-POS-6dc588a4-11
0.605
MAT-POS-90fd5f68-1
0.603
MAT-POS-90fd5f68-19
0.603
MAT-POS-90fd5f68-6
0.600
MAT-POS-90fd5f68-2
0.600
PET-UNK-c6bcc80b-7
0.598
PET-UNK-7fb4f80a-1
0.598
RUB-POS-1325a9ea-9
0.597
MIC-UNK-50cce87d-4
0.597
MAT-POS-90fd5f68-4
0.595
MAT-POS-90fd5f68-7
0.595
PET-UNK-d899bab6-1
0.595
MAT-POS-90fd5f68-25
0.595
MAT-POS-c20a539d-4
0.595
MAT-POS-90fd5f68-22
0.595
ADA-UCB-6c2cb422-1
0.595
MAT-POS-90fd5f68-21
0.593
MAT-POS-90fd5f68-3
0.593
MAT-POS-f7918075-5
0.592
MAT-POS-bb423b95-1
0.587
PET-UNK-7fb4f80a-2
0.585
MAT-POS-c0609ef7-1
0.575
MAT-POS-c20a539d-5
0.575
PET-UNK-6314f867-2
0.575
MAT-POS-90fd5f68-17
0.573
MAT-POS-90fd5f68-35
0.573
MAT-POS-c20a539d-8
0.573
MAT-POS-90fd5f68-9
0.573
MAT-POS-90fd5f68-27
0.573
MAT-POS-90fd5f68-15
0.568
MAT-POS-90fd5f68-29
0.568
MAT-POS-90fd5f68-11
0.568
MAT-POS-90fd5f68-24
0.566
MAT-POS-90fd5f68-30
0.566
MAT-POS-90fd5f68-12
0.566
MAT-POS-90fd5f68-5
0.565
MAT-POS-90fd5f68-13
0.563
JIN-POS-6dc588a4-3
0.560
MAT-POS-90fd5f68-10
0.560
MAT-POS-90fd5f68-18
0.560
MAT-POS-90fd5f68-36
0.560
MIC-UNK-9dc9fcd1-1
0.554
MAT-POS-c20a539d-7
0.553
MAT-POS-90fd5f68-28
0.553
MAT-POS-90fd5f68-8
0.553
MAT-POS-90fd5f68-23
0.553
MAT-POS-90fd5f68-31
0.552
MIC-UNK-4fbd4db9-1
0.551
MAT-POS-90fd5f68-33
0.551
MAT-POS-90fd5f68-26
0.547
MAT-POS-bb423b95-9
0.545
MIC-UNK-fbef42b7-2
0.540
JIN-POS-6dc588a4-13
0.538
PET-UNK-e274cad4-6
0.538
MIC-UNK-9dc9fcd1-2
0.535
MAK-UNK-ffc90da7-3
0.533
MAK-UNK-ffc90da7-8
0.533
MIC-UNK-4fbd4db9-3
0.533
JIN-POS-6dc588a4-12
0.532
RUB-POS-1325a9ea-5
0.532
MIC-UNK-fbef42b7-1
0.529
MIC-UNK-9dc9fcd1-3
0.528
MIC-UNK-9dc9fcd1-4
0.528
PET-UNK-8df914d1-3
0.527
MIC-UNK-51049f1a-6
0.526
MIC-UNK-08cd9c58-1
0.525
MAT-POS-f7918075-3
0.525
RUB-POS-1325a9ea-15
0.525
MIC-UNK-9dc9fcd1-5
0.522
JIN-POS-6dc588a4-22
0.519
PET-UNK-7f7e354d-7
0.519
RUB-POS-1325a9ea-13
0.519
PET-UNK-e274cad4-1
0.519
RUB-POS-1325a9ea-14
0.519
MAK-UNK-ffc90da7-5
0.516