Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2ccc(OCC(F)(F)F)cc12 |
| MW: | 394.07 |
| Fraction sp3: | 0.16 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 51.22 |
| cLogP: | 5.01 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 1.09197955459692 |
| Order Status | |
| Ordered: | 2021-08-25 |
| Synthesis Location: | enamine |
| Shipped: | 2021-09-29 |
high halogen content (>3)
MAT-POS-90fd5f68-24
0.747
EDJ-MED-00c1612e-1
0.727
PET-UNK-8df914d1-1
0.727
MAT-POS-90fd5f68-31
0.723
MAT-POS-90fd5f68-5
0.720
MAT-POS-90fd5f68-33
0.718
PET-UNK-7fb4f80a-2
0.683
MAT-POS-90fd5f68-32
0.674
MAT-POS-90fd5f68-34
0.652
MAT-POS-90fd5f68-37
0.630
MAT-POS-90fd5f68-40
0.617
RUB-POS-1325a9ea-4
0.617
MAT-POS-90fd5f68-19
0.602
MAT-POS-90fd5f68-39
0.600
PET-UNK-d899bab6-1
0.595
MAT-POS-90fd5f68-22
0.595
MAT-POS-90fd5f68-25
0.595
ADA-UCB-6c2cb422-1
0.595
MAT-POS-90fd5f68-20
0.588
MAT-POS-90fd5f68-29
0.588
MAT-POS-90fd5f68-6
0.581
MAT-POS-90fd5f68-36
0.580
MAT-POS-90fd5f68-27
0.575
MAT-POS-90fd5f68-35
0.575
MAT-POS-90fd5f68-21
0.575
MAT-POS-f7918075-5
0.573
MAT-POS-90fd5f68-30
0.568
PET-UNK-b38839dc-1
0.557
MAT-POS-29385cc1-1
0.557
MAT-POS-90fd5f68-28
0.556
MAT-POS-c20a539d-7
0.556
MAT-POS-c20a539d-2
0.553
PET-UNK-b38839dc-2
0.552
PET-UNK-f4e47ebd-1
0.552
MAT-POS-90fd5f68-26
0.549
MAT-POS-bb423b95-1
0.549
MAT-POS-29385cc1-2
0.545
MAT-POS-c20a539d-1
0.540
MAK-UNK-ffc90da7-6
0.536
PET-UNK-d899bab6-3
0.534
MAT-POS-90fd5f68-13
0.532
JIN-POS-6dc588a4-11
0.529
PET-UNK-d899bab6-2
0.528
MAT-POS-c0609ef7-1
0.523
MAT-POS-c20a539d-3
0.522
MAT-POS-90fd5f68-15
0.521
MAT-POS-bb423b95-8
0.518
EDJ-MED-c5ca5386-1
0.518
MAT-POS-90fd5f68-38
0.517
PET-UNK-f4e47ebd-2
0.517
PET-UNK-7fb4f80a-3
0.516
PET-UNK-c6bcc80b-7
0.511
PET-UNK-7fb4f80a-1
0.511
PET-UNK-7fb4f80a-4
0.511
MAT-POS-29385cc1-3
0.506
MAT-POS-c20a539d-6
0.506
MAT-POS-c20a539d-4
0.506
MAT-POS-90fd5f68-4
0.506
MAT-POS-90fd5f68-14
0.500
MAT-POS-90fd5f68-41
0.500
MIC-UNK-668ac5de-1
0.500
MAT-POS-90fd5f68-12
0.500
MAT-POS-90fd5f68-2
0.495
MAT-POS-90fd5f68-1
0.494
JOH-UNI-3fc3434e-3
0.494
JOH-UNI-ee5ed7c8-3
0.494
MIC-UNK-7574fcc6-1
0.494
MAT-POS-f7918075-3
0.494
MIC-UNK-08cd9c58-1
0.494
MAT-POS-bb423b95-9
0.494
MAT-POS-90fd5f68-7
0.489
MAT-POS-c20a539d-5
0.489
PET-UNK-6314f867-2
0.489
RUB-POS-1325a9ea-13
0.488
JIN-POS-6dc588a4-22
0.488
JIN-POS-6dc588a4-13
0.488
MAT-POS-90fd5f68-11
0.484
MAT-POS-29385cc1-4
0.483
JOH-UNI-6fede743-1
0.483
PET-UNK-b1ef24dc-3
0.483
PET-UNK-b1ef24dc-4
0.483
MAT-POS-90fd5f68-18
0.479
RAL-THA-2d450e86-31
0.477
MIC-UNK-50cce87d-2
0.477
EDJ-MED-6ab52e52-1
0.477
MAT-POS-90fd5f68-16
0.476
JAN-GHE-5a013bed-10
0.475
MAT-POS-90fd5f68-8
0.474
MAT-POS-c20a539d-8
0.473
MAT-POS-90fd5f68-3
0.473
MAT-POS-90fd5f68-9
0.473
MAT-POS-90fd5f68-17
0.473
MIC-UNK-9dc9fcd1-1
0.473
EDJ-MED-c5ca5386-2
0.473
JIN-POS-6dc588a4-18
0.472
PET-UNK-7f7e354d-7
0.471
SAM-UNK-2684b532-12
0.471
JIN-POS-6dc588a4-4
0.471
MIC-UNK-50cce87d-1
0.466
JIN-POS-6dc588a4-12
0.466