Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2nc[nH]c12 |
| MW: | 286.06 |
| Fraction sp3: | 0.07 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 70.67 |
| cLogP: | 2.79 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-565-178 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 13.260878543169 |
| IC50 (µM) - RapidFire: | 7.96693326437447 |
| Order Status | |
| Ordered: | 2020-08-18 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-22 |
![O=C(Cc1cccc(Cl)c1)Nc1cncc2cc[nH]c12](/static/images/loading.7a8cbb7079d7.gif)
JIN-POS-6dc588a4-14
0.566
MIC-UNK-8971c93c-1
0.558
MAT-POS-f7918075-4
0.558
RUB-POS-1325a9ea-12
0.553
JIN-POS-6dc588a4-10
0.545
RUB-POS-1325a9ea-11
0.526
JAN-GHE-5a013bed-10
0.521
MIC-UNK-08cd9c58-1
0.519
MAT-POS-f7918075-3
0.519
ALP-POS-95b75b4d-6
0.507
PET-UNK-8df914d1-3
0.500
MAT-POS-14ad9fe9-1
0.494
RUB-POS-1325a9ea-1
0.494
MAT-POS-f7918075-7
0.494
RUB-POS-1325a9ea-13
0.494
PET-UNK-b1ef24dc-2
0.494
ABI-SAT-4d06482b-2
0.493
SAM-UNK-2684b532-13
0.493
ALP-POS-95b75b4d-8
0.493
JIN-POS-6dc588a4-12
0.487
MAT-POS-bb423b95-2
0.487
PET-UNK-b1ef24dc-4
0.487
TRY-UNI-714a760b-3
0.487
JOH-UNI-abfda500-4
0.487
MIC-UNK-50cce87d-2
0.481
EDJ-MED-6ab52e52-1
0.481
MAT-POS-bb423b95-9
0.481
TRY-UNI-714a760b-6
0.480
PET-UNK-e274cad4-6
0.475
JIN-POS-6dc588a4-3
0.474
MAT-POS-bb423b95-5
0.474
EDG-MED-0da5ad92-21
0.473
EDJ-MED-c5ca5386-1
0.469
ADA-UCB-6c2cb422-1
0.468
JOH-UNI-abfda500-5
0.468
ANN-UNI-98d2bf15-3
0.468
EDG-MED-0da5ad92-17
0.468
EDG-MED-0da5ad92-14
0.467
EDJ-MED-a364e151-1
0.463
MAT-POS-bb423b95-1
0.463
EDJ-MED-c8e7a002-12
0.463
MIC-UNK-51049f1a-6
0.463
MAK-UNK-6ca90168-23
0.462
JAN-GHE-5a013bed-9
0.458
RUB-POS-1325a9ea-9
0.458
MIC-UNK-50cce87d-4
0.458
JIN-POS-6dc588a4-18
0.458
JIN-POS-6dc588a4-13
0.457
ALP-POS-0c2c77e1-1
0.457
PET-UNK-7f7e354d-7
0.457
EDJ-MED-a364e151-3
0.457
MAT-POS-bb423b95-3
0.457
JIN-POS-6dc588a4-22
0.457
PET-UNK-b1ef24dc-1
0.457
JIN-POS-6dc588a4-4
0.456
SAM-UNK-2684b532-11
0.456
SAM-UNK-2684b532-12
0.456
RUB-POS-1325a9ea-19
0.456
PET-UNK-f4e47ebd-1
0.453
PET-UNK-f4e47ebd-2
0.453
EDG-MED-0da5ad92-16
0.453
MAT-POS-c20a539d-2
0.452
MIC-UNK-f2576da4-1
0.452
MAT-POS-90fd5f68-38
0.452
MAT-POS-90fd5f68-37
0.452
MIC-UNK-50cce87d-1
0.451
RUB-POS-1325a9ea-3
0.451
MAT-POS-199e2e7c-1
0.451
RUB-POS-1325a9ea-5
0.451
RUB-POS-1325a9ea-2
0.451
MIC-UNK-50cce87d-3
0.451
PET-UNK-b1ef24dc-3
0.451
MAT-POS-bb423b95-8
0.451
MAT-POS-f7918075-5
0.451
ALP-POS-95b75b4d-7
0.450
PET-UNK-8df914d1-1
0.447
EDJ-MED-00c1612e-1
0.447
EDG-MED-0da5ad92-2
0.446
MIC-UNK-66895286-1
0.446
JAN-GHE-5a013bed-8
0.446
MIC-UNK-7574fcc6-1
0.446
EDJ-MED-a364e151-2
0.446
JIN-POS-6dc588a4-11
0.446
RUB-POS-1325a9ea-8
0.446
RUB-POS-1325a9ea-15
0.446
MAT-POS-bb423b95-4
0.444
ALP-POS-95b75b4d-5
0.444
AGN-NEW-c7b24fe3-1
0.443
EDJ-MED-976da9a6-1
0.442
MAT-POS-c20a539d-4
0.442
MAT-POS-c20a539d-1
0.442
JIN-POS-6dc588a4-20
0.442
EDJ-MED-c5ca5386-2
0.442
PET-UNK-e274cad4-1
0.440
MAT-POS-c20a539d-6
0.440
RUB-POS-1325a9ea-4
0.440
MAT-POS-29385cc1-3
0.440
MAT-POS-90fd5f68-40
0.440
RUB-POS-1325a9ea-14
0.440
JIN-POS-6dc588a4-6
0.439