Molecule Details
| Molecular Properties | |
| SMILES: | COc1cc2cncc(NC(=O)Cc3cccc(Cl)c3)c2cc1F |
| MW: | 344.07 |
| Fraction sp3: | 0.11 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 51.22 |
| cLogP: | 4.22 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| Order Status | |
| Ordered: | 2021-07-11 |
| Synthesis Location: | enamine |
| Shipped: | 2021-08-05 |
PET-UNK-b38839dc-1
0.797
MAT-POS-29385cc1-1
0.797
PET-UNK-7fb4f80a-3
0.756
MAT-POS-c20a539d-2
0.753
PET-UNK-b38839dc-2
0.701
PET-UNK-c6bcc80b-7
0.667
PET-UNK-7fb4f80a-4
0.663
PET-UNK-d899bab6-2
0.650
PET-UNK-8df914d1-1
0.633
EDJ-MED-00c1612e-1
0.633
MAT-POS-c20a539d-1
0.625
PET-UNK-f4e47ebd-2
0.617
PET-UNK-f4e47ebd-1
0.617
JIN-POS-6dc588a4-11
0.615
RUB-POS-1325a9ea-4
0.608
MAT-POS-90fd5f68-41
0.598
MAT-POS-90fd5f68-39
0.590
MAT-POS-29385cc1-3
0.588
MAT-POS-c20a539d-6
0.588
JIN-POS-6dc588a4-18
0.588
MAT-POS-c20a539d-4
0.585
MAT-POS-c20a539d-3
0.583
MAT-POS-bb423b95-8
0.582
MAT-POS-90fd5f68-37
0.580
PET-UNK-d899bab6-3
0.578
MAT-POS-90fd5f68-20
0.578
MAT-POS-90fd5f68-19
0.573
MAT-POS-90fd5f68-6
0.571
RUB-POS-1325a9ea-9
0.568
MAT-POS-90fd5f68-40
0.568
MIC-UNK-50cce87d-4
0.568
MAT-POS-c20a539d-5
0.566
PET-UNK-6314f867-2
0.566
MAT-POS-c0609ef7-1
0.566
PET-UNK-d899bab6-1
0.566
MAT-POS-90fd5f68-22
0.566
MAT-POS-90fd5f68-25
0.566
MAT-POS-90fd5f68-7
0.566
MAT-POS-90fd5f68-4
0.566
MAT-POS-90fd5f68-21
0.565
ADA-UCB-6c2cb422-1
0.564
MAT-POS-f7918075-5
0.562
MAT-POS-90fd5f68-38
0.561
PET-UNK-7fb4f80a-2
0.558
MAT-POS-90fd5f68-24
0.558
MAT-POS-bb423b95-1
0.557
MAT-POS-90fd5f68-1
0.554
MAT-POS-90fd5f68-2
0.553
PET-UNK-7fb4f80a-1
0.552
JIN-POS-6dc588a4-3
0.551
JIN-POS-6dc588a4-13
0.550
MAT-POS-c20a539d-8
0.547
MAT-POS-90fd5f68-3
0.547
MAT-POS-90fd5f68-9
0.547
MAT-POS-90fd5f68-17
0.547
MAT-POS-90fd5f68-27
0.547
MAT-POS-90fd5f68-35
0.547
MAT-POS-90fd5f68-23
0.545
MAT-POS-90fd5f68-15
0.543
MAT-POS-90fd5f68-33
0.543
MAT-POS-90fd5f68-11
0.541
MAT-POS-90fd5f68-29
0.541
MAT-POS-90fd5f68-12
0.540
MAT-POS-90fd5f68-30
0.540
MAT-POS-90fd5f68-26
0.539
MAT-POS-90fd5f68-5
0.539
MIC-UNK-7574fcc6-1
0.537
MAT-POS-90fd5f68-10
0.534
MAT-POS-90fd5f68-18
0.534
MAT-POS-90fd5f68-36
0.534
MIC-UNK-9dc9fcd1-1
0.529
MAT-POS-c20a539d-7
0.528
MAT-POS-90fd5f68-28
0.528
MAT-POS-90fd5f68-8
0.528
MAT-POS-90fd5f68-31
0.527
MAK-UNK-ffc90da7-8
0.527
RUB-POS-1325a9ea-2
0.524
EDJ-MED-c5ca5386-1
0.524
MIC-UNK-50cce87d-1
0.524
JIN-POS-6dc588a4-12
0.524
MAT-POS-29385cc1-4
0.524
MAT-POS-90fd5f68-13
0.522
MAT-POS-bb423b95-9
0.519
MIC-UNK-fbef42b7-2
0.516
JIN-POS-6dc588a4-22
0.512
MIC-UNK-9dc9fcd1-2
0.511
MIC-UNK-4fbd4db9-1
0.511
MAK-UNK-ffc90da7-3
0.511
RUB-POS-1325a9ea-5
0.506
MIC-UNK-fbef42b7-1
0.505
MIC-UNK-9dc9fcd1-4
0.505
MIC-UNK-9dc9fcd1-3
0.505
RUB-POS-1325a9ea-15
0.500
MIC-UNK-51049f1a-6
0.500
PET-UNK-8df914d1-3
0.500
MIC-UNK-9dc9fcd1-5
0.500
MIC-UNK-08cd9c58-1
0.500
MAT-POS-f7918075-3
0.500
MIC-UNK-4fbd4db9-3
0.495
MIC-UNK-4fbd4db9-5
0.495