Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnccc1C1CC1 |
| MW: | 286.762 |
| Fraction sp3: | 0.25 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 41.99 |
| cLogP: | 3.7936 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-565-167 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 7.1736359117104 |
| IC50 (µM) - RapidFire: | 7.39797406776628 |
| Order Status | |
| Ordered: | 2020-08-16 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-01 |
ADA-UCB-6c2cb422-1
MAT-POS-bb423b95-4
1.000
ALP-POS-95b75b4d-10
0.696
TRY-UNI-714a760b-6
0.612
ALP-POS-95b75b4d-8
0.606
SAM-UNK-2684b532-13
0.606
ALP-POS-95b75b4d-6
0.597
JOH-UNI-abfda500-5
0.571
ANN-UNI-98d2bf15-3
0.571
JOH-UNI-abfda500-4
0.571
MAK-UNK-6ca90168-23
0.563
SAD-SAT-7d5528d9-6
0.557
SAM-UNK-2684b532-11
0.556
SAM-UNK-2684b532-12
0.556
MAT-POS-bb423b95-5
0.556
RUB-POS-1325a9ea-19
0.556
JIN-POS-6dc588a4-4
0.556
JIN-POS-6dc588a4-3
0.556
ALP-POS-95b75b4d-7
0.548
SAD-SAT-24589cd1-9
0.548
ALP-POS-df536be7-3
0.537
MAT-POS-bb423b95-3
0.533
JIN-POS-6dc588a4-6
0.533
ALP-POS-0c2c77e1-1
0.533
JAN-GHE-5a013bed-10
0.522
MAT-POS-bb423b95-1
0.520
SAD-SAT-24589cd1-10
0.518
MAT-POS-f7918075-5
0.506
MIC-UNK-d935700b-2
0.506
SAD-SAT-7d5528d9-35
0.506
MAT-POS-bb423b95-9
0.500
PET-UNK-8df914d1-3
0.500
JIN-POS-6dc588a4-22
0.494
PET-UNK-b1ef24dc-2
0.494
EDJ-MED-a364e151-3
0.494
ABI-SAT-4d06482b-2
0.493
EDG-MED-0da5ad92-16
0.493
MAT-POS-bb423b95-2
0.487
PET-UNK-b1ef24dc-4
0.487
JIN-POS-6dc588a4-10
0.487
ADA-UCB-6c2cb422-1
0.487
TRY-UNI-714a760b-3
0.486
EDG-MED-0da5ad92-2
0.486
JAN-GHE-5a013bed-8
0.486
MAT-POS-f7918075-3
0.481
MIC-UNK-08cd9c58-1
0.481
RUB-POS-1325a9ea-8
0.481
JIN-POS-6dc588a4-20
0.476
EDJ-MED-239d8ca5-1
0.476
MAT-POS-90fd5f68-40
0.475
ALP-POS-95b75b4d-4
0.474
JIN-POS-6dc588a4-13
0.474
RUB-POS-1325a9ea-13
0.474
PET-UNK-8df914d1-5
0.474
EDG-MED-0da5ad92-21
0.472
MIC-UNK-f2576da4-1
0.469
MAT-POS-199e2e7c-1
0.468
EDJ-MED-076d6e64-1
0.468
RUB-POS-1325a9ea-5
0.468
EDJ-MED-3c65e9ce-2
0.468
EDG-MED-0da5ad92-14
0.466
ALP-POS-d054b76b-7
0.463
EDJ-MED-a364e151-1
0.463
EDJ-MED-a364e151-2
0.463
MIC-UNK-51049f1a-6
0.462
MAT-POS-4211dce8-1
0.462
MIC-UNK-50cce87d-2
0.462
EDJ-MED-6ab52e52-1
0.462
JIN-POS-6dc588a4-9
0.462
AGN-NEW-c7b24fe3-1
0.461
MAT-POS-90fd5f68-8
0.460
EDG-MED-0da5ad92-6
0.459
MAT-POS-14ad9fe9-1
0.458
JAN-GHE-5a013bed-9
0.457
RUB-POS-1325a9ea-1
0.457
JIN-POS-6dc588a4-18
0.457
MAT-POS-f7918075-7
0.457
PET-UNK-e274cad4-6
0.456
PET-UNK-b1ef24dc-1
0.456
PET-UNK-7f7e354d-7
0.456
RUB-POS-1325a9ea-12
0.456
MAT-POS-90fd5f68-26
0.455
PET-UNK-8df914d1-4
0.452
MAT-POS-90fd5f68-38
0.451
PET-UNK-b1ef24dc-3
0.450
MAT-POS-bb423b95-8
0.450
RUB-POS-1325a9ea-3
0.450
JIN-POS-6dc588a4-12
0.450
RUB-POS-1325a9ea-2
0.450
JIN-POS-6dc588a4-14
0.450
MIC-UNK-50cce87d-1
0.450
MIC-UNK-50cce87d-3
0.450
RUB-POS-1325a9ea-11
0.450
EDJ-MED-c5ca5386-1
0.450
JAN-GHE-f4ca5a00-14
0.449
EDG-MED-0da5ad92-17
0.447
AGN-NEW-c7b24fe3-4
0.447
AGN-NEW-c7b24fe3-5
0.447
MAT-POS-90fd5f68-2
0.447
MAT-POS-90fd5f68-1
0.446
MIC-UNK-8971c93c-1
0.444