Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2c(Cl)cccc12 |
| MW: | 330.03 |
| Fraction sp3: | 0.06 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.99 |
| cLogP: | 4.72 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-565-181 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-08-16 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-01 |
ADA-UCB-6c2cb422-1
JIN-POS-6dc588a4-13
0.691
RUB-POS-1325a9ea-5
0.681
JIN-POS-6dc588a4-18
0.662
RUB-POS-1325a9ea-13
0.597
JIN-POS-6dc588a4-22
0.597
ADA-UCB-6c2cb422-1
0.592
MAT-POS-f7918075-5
0.589
MAT-POS-bb423b95-1
0.583
ALP-POS-95b75b4d-8
0.582
SAM-UNK-2684b532-13
0.582
MAT-POS-bb423b95-8
0.568
PET-UNK-b1ef24dc-4
0.568
JAN-GHE-5a013bed-10
0.567
MAT-POS-f7918075-3
0.560
MIC-UNK-08cd9c58-1
0.560
PET-UNK-7f7e354d-7
0.554
ALP-POS-95b75b4d-6
0.551
JOH-UNI-abfda500-4
0.549
JOH-UNI-abfda500-5
0.549
ANN-UNI-98d2bf15-3
0.549
JIN-POS-6dc588a4-12
0.547
PET-UNK-b1ef24dc-3
0.547
MAT-POS-c20a539d-2
0.545
TRY-UNI-714a760b-6
0.543
RUB-POS-1325a9ea-15
0.539
JIN-POS-6dc588a4-11
0.539
MAT-POS-bb423b95-5
0.534
MAT-POS-c20a539d-6
0.532
MAT-POS-90fd5f68-40
0.532
RUB-POS-1325a9ea-4
0.532
MAT-POS-29385cc1-3
0.532
MAT-POS-90fd5f68-4
0.532
MAT-POS-90fd5f68-22
0.532
MAT-POS-90fd5f68-37
0.526
MAT-POS-90fd5f68-38
0.526
PET-UNK-b38839dc-2
0.525
PET-UNK-8df914d1-3
0.521
MAK-UNK-6ca90168-23
0.521
MIC-UNK-50cce87d-2
0.520
RUB-POS-1325a9ea-17
0.520
EDJ-MED-6ab52e52-1
0.520
JIN-POS-6dc588a4-23
0.519
PET-UNK-8df914d1-1
0.519
MAT-POS-90fd5f68-19
0.519
EDJ-MED-00c1612e-1
0.519
MAT-POS-90fd5f68-1
0.519
MAT-POS-29385cc1-2
0.519
SAM-UNK-2684b532-11
0.514
SAM-UNK-2684b532-12
0.514
JIN-POS-6dc588a4-4
0.514
JIN-POS-6dc588a4-3
0.514
RUB-POS-1325a9ea-19
0.514
EDJ-MED-a364e151-3
0.513
MAT-POS-c0609ef7-1
0.512
MAT-POS-c20a539d-4
0.512
MAT-POS-c20a539d-5
0.512
PET-UNK-d899bab6-1
0.512
MAT-POS-c20a539d-1
0.512
MAT-POS-90fd5f68-7
0.512
PET-UNK-6314f867-2
0.512
MAT-POS-90fd5f68-25
0.512
TRY-UNI-714a760b-3
0.507
ALP-POS-95b75b4d-7
0.507
JOH-UNI-6fede743-1
0.506
JIN-POS-6dc588a4-24
0.506
MAT-POS-90fd5f68-11
0.506
MAT-POS-90fd5f68-29
0.506
PET-UNK-f4e47ebd-1
0.506
PET-UNK-f4e47ebd-2
0.506
MAT-POS-90fd5f68-20
0.506
PET-UNK-d899bab6-3
0.506
MAT-POS-90fd5f68-41
0.506
MAT-POS-bb423b95-4
0.500
PET-UNK-d899bab6-2
0.500
ALP-POS-95b75b4d-5
0.500
PET-UNK-c6bcc80b-7
0.500
MAT-POS-90fd5f68-2
0.500
MAT-POS-90fd5f68-6
0.500
MAT-POS-90fd5f68-39
0.500
MAT-POS-90fd5f68-23
0.494
MAT-POS-c20a539d-3
0.494
MAT-POS-90fd5f68-27
0.494
MAT-POS-90fd5f68-35
0.494
PET-UNK-b38839dc-1
0.494
MAT-POS-90fd5f68-3
0.494
MAT-POS-90fd5f68-21
0.494
MAT-POS-90fd5f68-17
0.494
MAT-POS-29385cc1-1
0.494
MIC-UNK-9dc9fcd1-1
0.494
MAT-POS-c20a539d-8
0.494
MAT-POS-90fd5f68-9
0.494
EDJ-MED-50fe53e8-2
0.494
RUB-POS-1325a9ea-12
0.494
PET-UNK-e274cad4-6
0.494
PET-UNK-b1ef24dc-1
0.494
JIN-POS-6dc588a4-6
0.494
PET-UNK-b1ef24dc-2
0.494
ALP-POS-0c2c77e1-1
0.494
MAT-POS-bb423b95-3
0.494
MAT-POS-f7918075-6
0.494