Molecule Details
| Molecular Properties | |
| SMILES: | COc1ccncc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 276.07 |
| Fraction sp3: | 0.14 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 51.22 |
| cLogP: | 2.92 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 21.5515545541569 |
| Order Status | |
| Ordered: | 2021-03-23 |
| Synthesis Location: | enamine |
| Shipped: | 2021-03-24 |
ADA-UCB-6c2cb422-1
JIN-POS-6dc588a4-6
0.738
TRY-UNI-714a760b-6
0.631
ALP-POS-95b75b4d-8
0.625
SAM-UNK-2684b532-13
0.625
ALP-POS-95b75b4d-6
0.615
MAT-POS-bb423b95-5
0.594
RUB-POS-1325a9ea-19
0.594
JIN-POS-6dc588a4-18
0.589
JOH-UNI-abfda500-5
0.588
ANN-UNI-98d2bf15-3
0.588
JOH-UNI-abfda500-4
0.588
MAK-UNK-6ca90168-23
0.580
SAM-UNK-2684b532-11
0.571
JIN-POS-6dc588a4-4
0.571
SAM-UNK-2684b532-12
0.571
RUB-POS-1325a9ea-9
0.568
MIC-UNK-50cce87d-4
0.568
ALP-POS-95b75b4d-7
0.563
MAT-POS-c20a539d-2
0.560
ALP-POS-95b75b4d-5
0.556
MAT-POS-bb423b95-1
0.556
MAT-POS-bb423b95-4
0.556
MAT-POS-29385cc1-2
0.551
ALP-POS-0c2c77e1-1
0.548
MAT-POS-bb423b95-3
0.548
TRY-UNI-714a760b-3
0.543
MAT-POS-f7918075-5
0.541
PET-UNK-b38839dc-2
0.538
JAN-GHE-5a013bed-10
0.537
PET-UNK-8df914d1-3
0.536
BAR-COM-0f94fc3d-34
0.535
PET-UNK-8df914d1-1
0.532
EDJ-MED-00c1612e-1
0.532
BAR-COM-0f94fc3d-44
0.532
EDG-MED-0da5ad92-21
0.529
EDG-MED-0da5ad92-16
0.529
ABI-SAT-4d06482b-2
0.529
MAT-POS-c20a539d-1
0.526
PET-UNK-b38839dc-1
0.525
MAT-POS-29385cc1-1
0.525
ADA-UCB-6c2cb422-1
0.521
MAT-POS-bb423b95-9
0.514
JIN-POS-6dc588a4-23
0.513
MIC-UNK-d935700b-1
0.507
JIN-POS-6dc588a4-22
0.507
EDG-MED-0da5ad92-17
0.500
RUB-POS-1325a9ea-5
0.500
JAN-GHE-5a013bed-8
0.500
PET-UNK-f4e47ebd-2
0.500
JIN-POS-6dc588a4-10
0.500
PET-UNK-f4e47ebd-1
0.500
MAT-POS-90fd5f68-41
0.500
EDG-MED-0da5ad92-2
0.500
MAT-POS-199e2e7c-1
0.500
EDG-MED-0da5ad92-14
0.500
BAR-COM-0f94fc3d-54
0.494
MAT-POS-90fd5f68-39
0.494
MIC-UNK-08cd9c58-1
0.494
MAT-POS-f7918075-3
0.494
MIC-UNK-51049f1a-6
0.493
JAN-GHE-5a013bed-6
0.493
MAT-POS-90fd5f68-22
0.487
MAT-POS-90fd5f68-4
0.487
MAT-POS-c20a539d-6
0.487
RUB-POS-1325a9ea-4
0.487
MAT-POS-29385cc1-3
0.487
PET-UNK-e274cad4-6
0.487
JIN-POS-6dc588a4-13
0.487
MAT-POS-90fd5f68-20
0.481
MAT-POS-90fd5f68-37
0.481
RUB-POS-1325a9ea-11
0.481
PET-UNK-b1ef24dc-4
0.481
EDJ-MED-076d6e64-1
0.481
PET-UNK-b1ef24dc-3
0.481
RUB-POS-1325a9ea-3
0.481
MAT-POS-bb423b95-8
0.481
MAT-POS-bb423b95-2
0.481
MIC-UNK-50cce87d-3
0.481
MAT-POS-90fd5f68-19
0.475
JIN-POS-6dc588a4-11
0.474
EDJ-MED-a364e151-1
0.474
MAT-POS-f7918075-8
0.474
RUB-POS-1325a9ea-8
0.474
RUB-POS-1325a9ea-15
0.474
EDJ-MED-6ab52e52-1
0.474
MIC-UNK-50cce87d-2
0.474
EDJ-MED-e58735b6-1
0.473
EDG-MED-0da5ad92-6
0.472
EDG-MED-0da5ad92-15
0.472
JAN-GHE-5a013bed-9
0.471
MAT-POS-90fd5f68-35
0.470
MAT-POS-90fd5f68-21
0.470
MAT-POS-c20a539d-4
0.469
JIN-POS-6dc588a4-20
0.469
MAT-POS-90fd5f68-7
0.469
PET-UNK-d899bab6-1
0.469
EDJ-MED-976da9a6-1
0.469
MAT-POS-14ad9fe9-1
0.469
MAT-POS-90fd5f68-25
0.469
RUB-POS-1325a9ea-14
0.468