Molecule Details
| Molecular Properties | |
| SMILES: | CC(C)c1ccncc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 288.1 |
| Fraction sp3: | 0.25 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 41.99 |
| cLogP: | 4.04 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-563-468 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 19.5089876933868 |
| IC50 (µM) - RapidFire: | 26.3771424007404 |
| Order Status | |
| Ordered: | 2020-08-16 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-01 |
ADA-UCB-6c2cb422-1
SAM-UNK-2684b532-11
0.746
TRY-UNI-714a760b-6
0.631
ALP-POS-95b75b4d-8
0.625
SAM-UNK-2684b532-13
0.625
ALP-POS-95b75b4d-6
0.615
JIN-POS-6dc588a4-3
0.594
RUB-POS-1325a9ea-19
0.594
JOH-UNI-abfda500-5
0.588
ANN-UNI-98d2bf15-3
0.588
JOH-UNI-abfda500-4
0.588
ALP-POS-95b75b4d-7
0.586
MAK-UNK-6ca90168-23
0.580
JIN-POS-6dc588a4-4
0.571
SAM-UNK-2684b532-12
0.571
JIN-POS-6dc588a4-6
0.569
ALP-POS-95b75b4d-5
0.556
MAT-POS-bb423b95-4
0.556
MAT-POS-bb423b95-3
0.548
ALP-POS-0c2c77e1-1
0.548
JAN-GHE-5a013bed-10
0.537
PET-UNK-8df914d1-3
0.536
MAT-POS-bb423b95-1
0.534
MAT-POS-bb423b95-9
0.534
ABI-SAT-4d06482b-2
0.529
PET-UNK-e274cad4-6
0.527
EDG-MED-0da5ad92-14
0.522
TRY-UNI-714a760b-3
0.521
MAT-POS-f7918075-5
0.520
JIN-POS-6dc588a4-14
0.520
RUB-POS-1325a9ea-15
0.513
EDG-MED-0da5ad92-16
0.507
EDG-MED-0da5ad92-21
0.507
RUB-POS-1325a9ea-12
0.507
JIN-POS-6dc588a4-13
0.507
JIN-POS-6dc588a4-22
0.507
JIN-POS-6dc588a4-18
0.506
EDG-MED-0da5ad92-2
0.500
MIC-UNK-f2576da4-1
0.500
RUB-POS-1325a9ea-5
0.500
JAN-GHE-5a013bed-8
0.500
EDJ-MED-6ab52e52-1
0.493
MIC-UNK-50cce87d-2
0.493
MAT-POS-14ad9fe9-1
0.487
RUB-POS-1325a9ea-4
0.487
RUB-POS-1325a9ea-14
0.487
PET-UNK-e274cad4-1
0.487
RUB-POS-1325a9ea-13
0.487
SAM-UNK-2684b532-5
0.487
PET-UNK-8df914d1-4
0.486
MIC-UNK-51049f1a-5
0.481
JIN-POS-6dc588a4-10
0.481
JIN-POS-6dc588a4-12
0.481
PET-UNK-b1ef24dc-4
0.481
MIC-UNK-50cce87d-3
0.481
MAT-POS-bb423b95-2
0.481
MAT-POS-199e2e7c-1
0.481
RUB-POS-1325a9ea-3
0.481
PET-UNK-b1ef24dc-3
0.481
ADA-UCB-6c2cb422-1
0.480
EDG-MED-0da5ad92-17
0.479
MAT-POS-f7918075-3
0.474
MIC-UNK-8971c93c-1
0.474
MAT-POS-f7918075-4
0.474
MIC-UNK-7574fcc6-1
0.474
RUB-POS-1325a9ea-8
0.474
MAT-POS-f7918075-8
0.474
MIC-UNK-08cd9c58-1
0.474
MIC-UNK-51049f1a-6
0.474
EDJ-MED-c8e7a002-12
0.474
EDG-MED-0da5ad92-6
0.472
JAN-GHE-5a013bed-9
0.471
MAT-POS-90fd5f68-22
0.469
MAT-POS-90fd5f68-4
0.469
MAT-POS-c0609ef7-1
0.469
MAT-POS-c20a539d-4
0.469
MAT-POS-c20a539d-6
0.468
MAT-POS-90fd5f68-40
0.468
RUB-POS-1325a9ea-1
0.468
RUB-POS-1325a9ea-9
0.468
MAT-POS-29385cc1-3
0.468
MAT-POS-f7918075-7
0.468
MIC-UNK-50cce87d-4
0.468
EDJ-MED-a364e151-3
0.468
PET-UNK-b1ef24dc-1
0.468
PET-UNK-7f7e354d-7
0.468
PET-UNK-b1ef24dc-2
0.468
MIC-UNK-d935700b-1
0.467
EDG-MED-0da5ad92-13
0.465
PET-UNK-f4e47ebd-2
0.463
MAT-POS-c20a539d-2
0.463
MAT-POS-29385cc1-4
0.463
MAT-POS-bb423b95-8
0.462
EDJ-MED-076d6e64-1
0.462
MIC-UNK-50cce87d-1
0.462
RUB-POS-1325a9ea-2
0.462
RUB-POS-1325a9ea-11
0.462
EDJ-MED-c5ca5386-1
0.462
VLA-UCB-00f2c2b3-7
0.461
AGN-NEW-c7b24fe3-4
0.459
AGN-NEW-c7b24fe3-5
0.459