Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cccc2cn[nH]c12 |
| MW: | 285.07 |
| Fraction sp3: | 0.07 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 57.78 |
| cLogP: | 3.4 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-09-29 |
| Synthesis Location: | enamine |
| Shipped: | 2020-10-13 |
JAG-UCB-52b62a6f-1
RUB-POS-1325a9ea-12
0.667
EDG-MED-0da5ad92-21
0.559
VLA-UCB-00f2c2b3-7
0.548
MIC-UNK-d935700b-1
0.534
RUB-POS-1325a9ea-13
0.533
MIC-UNK-d935700b-2
0.526
JAN-GHE-5a013bed-10
0.522
JIN-POS-6dc588a4-14
0.506
PET-UNK-e274cad4-6
0.494
SAM-UNK-2684b532-13
0.493
ALP-POS-95b75b4d-8
0.493
ANN-UNI-98d2bf15-3
0.486
JOH-UNI-abfda500-5
0.486
ALP-POS-95b75b4d-6
0.486
EDG-MED-0da5ad92-14
0.486
MIC-UNK-66895286-1
0.486
TRY-UNI-714a760b-6
0.479
PET-UNK-8df914d1-3
0.479
JIN-POS-6dc588a4-4
0.474
MAT-POS-bb423b95-5
0.474
SAM-UNK-2684b532-11
0.474
SAM-UNK-2684b532-12
0.474
ABI-SAT-4d06482b-2
0.473
EDG-MED-0da5ad92-16
0.472
EDJ-MED-c5ca5386-1
0.468
EDJ-MED-076d6e64-1
0.468
ADA-UCB-6c2cb422-1
0.468
TRY-UNI-714a760b-3
0.467
JOH-UNI-abfda500-4
0.467
EDG-MED-0da5ad92-17
0.467
JOH-UNI-ee5ed7c8-3
0.463
JOH-UNI-3fc3434e-3
0.463
MAT-POS-f7918075-4
0.463
MAT-POS-f7918075-8
0.463
RUB-POS-1325a9ea-8
0.463
MIC-UNK-8971c93c-1
0.463
EDJ-MED-6ab52e52-1
0.462
MAT-POS-bb423b95-1
0.462
MAT-POS-bb423b95-9
0.462
MIC-UNK-50cce87d-2
0.462
MIC-UNK-51049f1a-6
0.462
MAK-UNK-6ca90168-23
0.461
JAN-GHE-5a013bed-9
0.457
RUB-POS-1325a9ea-14
0.457
PET-UNK-e274cad4-1
0.457
PET-UNK-b1ef24dc-1
0.456
PET-UNK-7f7e354d-7
0.456
PET-UNK-b1ef24dc-2
0.456
RUB-POS-1325a9ea-19
0.455
JIN-POS-6dc588a4-3
0.455
MIC-UNK-f2576da4-1
0.451
MAT-POS-bb423b95-8
0.450
RUB-POS-1325a9ea-2
0.450
MIC-UNK-50cce87d-3
0.450
MAT-POS-f7918075-5
0.450
MAT-POS-bb423b95-2
0.450
MIC-UNK-50cce87d-1
0.450
RUB-POS-1325a9ea-3
0.450
JIN-POS-6dc588a4-12
0.450
ALP-POS-95b75b4d-7
0.449
AGN-NEW-c7b24fe3-4
0.447
AGN-NEW-c7b24fe3-5
0.447
EDG-MED-0da5ad92-2
0.444
MIC-UNK-7574fcc6-1
0.444
JIN-POS-6dc588a4-11
0.444
JAN-GHE-5a013bed-11
0.444
MAT-POS-bb423b95-4
0.443
ALP-POS-95b75b4d-5
0.443
AGN-NEW-c7b24fe3-1
0.442
EDJ-MED-239d8ca5-1
0.440
RUB-POS-1325a9ea-1
0.439
RUB-POS-1325a9ea-9
0.439
MIC-UNK-50cce87d-4
0.439
RUB-POS-1325a9ea-4
0.439
MAT-POS-29385cc1-3
0.439
MAT-POS-c20a539d-6
0.439
MAT-POS-90fd5f68-40
0.439
MAT-POS-f7918075-7
0.439
MAT-POS-bb423b95-3
0.438
JIN-POS-6dc588a4-13
0.438
JIN-POS-6dc588a4-22
0.438
JIN-POS-6dc588a4-6
0.438
ALP-POS-0c2c77e1-1
0.438
MAT-POS-f7918075-6
0.438
EDJ-MED-a364e151-3
0.438
EDJ-MED-50fe53e8-2
0.438
JAN-GHE-5a013bed-6
0.437
PET-UNK-158bee2a-2
0.437
JIN-POS-6dc588a4-5
0.436
MIC-UNK-51049f1a-5
0.434
MIC-UNK-668ac5de-1
0.434
PET-UNK-6314f867-3
0.434
MAT-POS-29385cc1-4
0.434
MAT-POS-c20a539d-2
0.434
MAT-POS-90fd5f68-37
0.434
MAT-POS-90fd5f68-38
0.434
PET-UNK-b1ef24dc-3
0.432
MAT-POS-199e2e7c-2
0.432
MAT-POS-199e2e7c-1
0.432
PET-UNK-b1ef24dc-4
0.432