Molecule Details
| Molecular Properties | |
| SMILES: | COc1cc2c(NC(=O)Cc3cccc(Cl)c3)cncc2cc1F |
| 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: | 1.13690680360449 |
| Order Status | |
| Ordered: | 2021-07-11 |
| Synthesis Location: | enamine |
| Shipped: | 2021-08-11 |
MAT-POS-29385cc1-1
1.000
MAT-POS-29385cc1-2
0.797
MAT-POS-c20a539d-2
0.767
PET-UNK-7fb4f80a-4
0.759
PET-UNK-b38839dc-2
0.737
PET-UNK-d899bab6-2
0.684
PET-UNK-7fb4f80a-3
0.663
PET-UNK-8df914d1-1
0.625
EDJ-MED-00c1612e-1
0.625
PET-UNK-c6bcc80b-7
0.619
MAT-POS-c20a539d-1
0.617
MAT-POS-c20a539d-3
0.614
PET-UNK-f4e47ebd-2
0.610
PET-UNK-f4e47ebd-1
0.610
JIN-POS-6dc588a4-11
0.608
MAT-POS-90fd5f68-39
0.602
RUB-POS-1325a9ea-4
0.600
MAT-POS-90fd5f68-41
0.590
MAT-POS-90fd5f68-6
0.583
JIN-POS-6dc588a4-13
0.582
MAT-POS-c20a539d-6
0.580
JIN-POS-6dc588a4-18
0.580
MAT-POS-29385cc1-3
0.580
MAT-POS-90fd5f68-40
0.580
ADA-UCB-6c2cb422-1
0.577
MAT-POS-bb423b95-8
0.575
MAT-POS-90fd5f68-37
0.573
MAT-POS-90fd5f68-20
0.571
PET-UNK-d899bab6-3
0.571
MAT-POS-90fd5f68-24
0.570
MAT-POS-90fd5f68-19
0.566
MIC-UNK-50cce87d-4
0.561
RUB-POS-1325a9ea-9
0.561
MAT-POS-90fd5f68-22
0.560
MAT-POS-90fd5f68-25
0.560
MAT-POS-c20a539d-4
0.560
MAT-POS-90fd5f68-7
0.560
MAT-POS-90fd5f68-4
0.560
MAT-POS-c0609ef7-1
0.560
PET-UNK-d899bab6-1
0.560
MAT-POS-90fd5f68-21
0.558
MAT-POS-90fd5f68-23
0.557
MAT-POS-f7918075-5
0.556
MAT-POS-90fd5f68-38
0.554
PET-UNK-7fb4f80a-2
0.552
MAT-POS-90fd5f68-12
0.552
MAT-POS-90fd5f68-5
0.551
MAT-POS-bb423b95-1
0.550
MAT-POS-90fd5f68-1
0.548
MAT-POS-90fd5f68-2
0.547
PET-UNK-7fb4f80a-1
0.545
MAT-POS-c20a539d-5
0.541
PET-UNK-6314f867-2
0.541
MAT-POS-c20a539d-8
0.540
MAT-POS-90fd5f68-3
0.540
MAT-POS-90fd5f68-9
0.540
MAT-POS-90fd5f68-17
0.540
MAT-POS-90fd5f68-27
0.540
MAT-POS-90fd5f68-35
0.540
MAT-POS-90fd5f68-15
0.538
MAT-POS-90fd5f68-33
0.538
MAT-POS-90fd5f68-29
0.535
MAT-POS-90fd5f68-11
0.535
MAT-POS-90fd5f68-30
0.534
MIC-UNK-7574fcc6-1
0.530
MAT-POS-90fd5f68-18
0.528
MAT-POS-90fd5f68-36
0.528
MAT-POS-90fd5f68-10
0.528
JIN-POS-6dc588a4-3
0.525
MIC-UNK-9dc9fcd1-1
0.523
MAT-POS-c20a539d-7
0.522
MAT-POS-90fd5f68-28
0.522
MAT-POS-90fd5f68-31
0.522
MIC-UNK-50cce87d-1
0.518
JIN-POS-6dc588a4-12
0.518
RUB-POS-1325a9ea-2
0.518
EDJ-MED-c5ca5386-1
0.518
MAT-POS-29385cc1-4
0.518
MAT-POS-90fd5f68-26
0.516
MAT-POS-90fd5f68-13
0.516
MIC-UNK-fbef42b7-2
0.511
JIN-POS-6dc588a4-22
0.506
PET-UNK-e274cad4-6
0.506
RUB-POS-1325a9ea-14
0.506
PET-UNK-e274cad4-1
0.506
MIC-UNK-9dc9fcd1-2
0.505
MAT-POS-90fd5f68-8
0.505
MAK-UNK-ffc90da7-3
0.505
MAK-UNK-ffc90da7-8
0.505
MIC-UNK-fbef42b7-1
0.500
MIC-UNK-9dc9fcd1-4
0.500
MIC-UNK-9dc9fcd1-3
0.500
PET-UNK-b38839dc-13
0.500
RUB-POS-1325a9ea-5
0.500
PET-UNK-7279c968-8
0.500
PET-UNK-b38839dc-19
0.500
MIC-UNK-9dc9fcd1-5
0.495
MAT-POS-f7918075-3
0.494
MIC-UNK-08cd9c58-1
0.494
RUB-POS-1325a9ea-15
0.494