Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2cccnc12 |
| MW: | 297.07 |
| Fraction sp3: | 0.06 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.88 |
| cLogP: | 3.46 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-565-168 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 7.01875264650223 |
| IC50 (µM) - RapidFire: | 6.21925304679007 |
| Order Status | |
| Ordered: | 2020-08-16 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-01 |
ADA-UCB-6c2cb422-1
JIN-POS-6dc588a4-10
0.595
MAT-POS-bb423b95-1
0.547
PET-UNK-b1ef24dc-1
0.539
AGN-NEW-c7b24fe3-5
0.534
ADA-UCB-6c2cb422-1
0.533
MAT-POS-f7918075-5
0.532
JAN-GHE-5a013bed-10
0.529
PET-UNK-8df914d1-3
0.528
MIC-UNK-51049f1a-6
0.526
MIC-UNK-50cce87d-2
0.526
EDJ-MED-6ab52e52-1
0.526
MIC-UNK-08cd9c58-1
0.526
MAT-POS-f7918075-3
0.526
SAM-UNK-2684b532-13
0.521
ALP-POS-95b75b4d-8
0.521
RUB-POS-1325a9ea-12
0.519
PET-UNK-e274cad4-6
0.519
PET-UNK-b1ef24dc-2
0.519
MAT-POS-c20a539d-4
0.519
ALP-POS-95b75b4d-6
0.514
EDG-MED-0da5ad92-14
0.514
TRY-UNI-714a760b-3
0.514
JOH-UNI-abfda500-5
0.514
ANN-UNI-98d2bf15-3
0.514
EDJ-MED-c5ca5386-1
0.513
MIC-UNK-50cce87d-1
0.513
RUB-POS-1325a9ea-3
0.513
MAT-POS-bb423b95-8
0.513
MIC-UNK-50cce87d-3
0.513
JIN-POS-6dc588a4-14
0.513
RUB-POS-1325a9ea-2
0.513
MAT-POS-90fd5f68-37
0.512
MIC-UNK-668ac5de-1
0.512
TRY-UNI-714a760b-6
0.507
AGN-NEW-c7b24fe3-1
0.507
MIC-UNK-7574fcc6-1
0.506
JIN-POS-6dc588a4-11
0.506
MAT-POS-90fd5f68-7
0.500
RUB-POS-1325a9ea-14
0.500
MAT-POS-90fd5f68-40
0.500
MAT-POS-c0609ef7-1
0.500
RUB-POS-1325a9ea-9
0.500
MAT-POS-29385cc1-3
0.500
MAT-POS-c20a539d-1
0.500
MAT-POS-8feb6e35-1
0.500
PET-UNK-e274cad4-1
0.500
EDJ-MED-239d8ca5-1
0.500
ABI-SAT-4d06482b-2
0.500
MIC-UNK-50cce87d-4
0.500
EDJ-MED-c5ca5386-2
0.500
MAT-POS-c20a539d-6
0.500
RUB-POS-1325a9ea-4
0.500
PET-UNK-f4e47ebd-2
0.494
PET-UNK-f4e47ebd-1
0.494
PET-UNK-d899bab6-3
0.494
PET-UNK-b38839dc-2
0.494
MAT-POS-90fd5f68-11
0.494
JOH-UNI-ee5ed7c8-1
0.494
JOH-UNI-3fc3434e-1
0.494
MAT-POS-c20a539d-2
0.494
MIC-UNK-f2576da4-1
0.494
MIC-UNK-51049f1a-5
0.494
MAT-POS-29385cc1-4
0.494
PET-UNK-6314f867-3
0.494
MAT-POS-90fd5f68-38
0.494
JOH-UNI-abfda500-4
0.493
AGN-NEW-c7b24fe3-4
0.493
JOH-UNI-ee5ed7c8-3
0.488
PET-UNK-8df914d1-1
0.488
MAT-POS-90fd5f68-1
0.488
MAT-POS-90fd5f68-19
0.488
EDJ-MED-00c1612e-1
0.488
JOH-UNI-3fc3434e-3
0.488
MAT-POS-f7918075-8
0.487
RUB-POS-1325a9ea-8
0.487
MAT-POS-bb423b95-4
0.487
ALP-POS-95b75b4d-5
0.487
MAK-UNK-6ca90168-23
0.487
EDJ-MED-239d8ca5-2
0.482
MAT-POS-90fd5f68-3
0.482
MAT-POS-90fd5f68-27
0.482
PET-UNK-d899bab6-1
0.482
MAT-POS-90fd5f68-22
0.482
MAT-POS-c20a539d-5
0.482
MAT-POS-90fd5f68-4
0.482
MAT-POS-90fd5f68-25
0.482
PET-UNK-6314f867-2
0.482
PET-UNK-7f7e354d-7
0.481
JIN-POS-6dc588a4-6
0.481
SAM-UNK-2684b532-11
0.481
JIN-POS-6dc588a4-3
0.481
MAT-POS-bb423b95-5
0.481
JIN-POS-6dc588a4-4
0.481
SAM-UNK-2684b532-12
0.481
RUB-POS-1325a9ea-19
0.481
MAT-POS-90fd5f68-24
0.477
MAT-POS-90fd5f68-41
0.476
MAT-POS-90fd5f68-20
0.476
MAT-POS-90fd5f68-29
0.476
MAT-POS-199e2e7c-1
0.475