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-50cce87d-2
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
ALP-POS-95b75b4d-6
0.514
EDG-MED-0da5ad92-14
0.514
ANN-UNI-98d2bf15-3
0.514
JOH-UNI-abfda500-5
0.514
TRY-UNI-714a760b-3
0.514
JIN-POS-6dc588a4-14
0.513
MIC-UNK-50cce87d-1
0.513
MAT-POS-bb423b95-8
0.513
RUB-POS-1325a9ea-2
0.513
RUB-POS-1325a9ea-3
0.513
MIC-UNK-50cce87d-3
0.513
TRY-UNI-714a760b-6
0.507
AGN-NEW-c7b24fe3-1
0.507
JIN-POS-6dc588a4-11
0.506
MIC-UNK-7574fcc6-1
0.506
MAT-POS-c0609ef7-1
0.500
ABI-SAT-4d06482b-2
0.500
RUB-POS-1325a9ea-9
0.500
MIC-UNK-50cce87d-4
0.500
MAT-POS-29385cc1-3
0.500
RUB-POS-1325a9ea-4
0.500
RUB-POS-1325a9ea-14
0.500
PET-UNK-e274cad4-1
0.500
PET-UNK-b38839dc-2
0.494
PET-UNK-f4e47ebd-1
0.494
JOH-UNI-3fc3434e-1
0.494
PET-UNK-d899bab6-3
0.494
JOH-UNI-ee5ed7c8-1
0.494
PET-UNK-f4e47ebd-2
0.494
MAT-POS-29385cc1-4
0.494
PET-UNK-6314f867-3
0.494
JOH-UNI-abfda500-4
0.493
AGN-NEW-c7b24fe3-4
0.493
PET-UNK-8df914d1-1
0.488
JOH-UNI-3fc3434e-3
0.488
JOH-UNI-ee5ed7c8-3
0.488
EDJ-MED-00c1612e-1
0.488
MAT-POS-f7918075-8
0.487
RUB-POS-1325a9ea-8
0.487
ALP-POS-95b75b4d-5
0.487
MAT-POS-bb423b95-4
0.487
MAK-UNK-6ca90168-23
0.487
PET-UNK-d899bab6-1
0.482
PET-UNK-6314f867-2
0.482
PET-UNK-7f7e354d-7
0.481
JIN-POS-6dc588a4-6
0.481
SAM-UNK-2684b532-12
0.481
SAM-UNK-2684b532-11
0.481
MAT-POS-bb423b95-5
0.481
RUB-POS-1325a9ea-19
0.481
JIN-POS-6dc588a4-4
0.481
JIN-POS-6dc588a4-3
0.481
MAT-POS-199e2e7c-1
0.475
RUB-POS-1325a9ea-11
0.475
ALP-POS-95b75b4d-7
0.474
EDG-MED-0da5ad92-17
0.474
JAN-GHE-5a013bed-8
0.472
EDG-MED-0da5ad92-2
0.472
PET-UNK-d899bab6-2
0.471
MAT-POS-29385cc1-2
0.471
MAT-POS-bb423b95-9
0.468
MAT-POS-29385cc1-1
0.465
PET-UNK-b38839dc-1
0.465
MAT-POS-14ad9fe9-1
0.464
MAT-POS-bb423b95-3
0.463
ALP-POS-0c2c77e1-1
0.463
RUB-POS-1325a9ea-13
0.463
EDJ-MED-c8e7a002-14
0.463
JIN-POS-6dc588a4-13
0.463
JIN-POS-6dc588a4-22
0.463
EDJ-MED-a364e151-3
0.463
EDG-MED-0da5ad92-16
0.459
EDG-MED-0da5ad92-21
0.459
JOH-UNI-6fede743-1
0.457
RUB-POS-1325a9ea-5
0.457
JIN-POS-6dc588a4-15
0.457
JIN-POS-6dc588a4-12
0.457
PET-UNK-b1ef24dc-3
0.457
PET-UNK-b1ef24dc-4
0.457
EDJ-MED-a364e151-1
0.451
MIC-UNK-8971c93c-1
0.451
MAT-POS-f7918075-4
0.451
RUB-POS-1325a9ea-15
0.451
EDJ-MED-a364e151-2
0.451