Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2cccnc12 |
| MW: | 297.07 |
| Fraction sp3: | 0.06 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.88 |
| cLogP: | 3.46 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 7.01875264650223 |
| IC50 (µM) - RapidFire: | 6.21925304679007 |
| pIC50 (µM) - Fluorescence | 5.15374006263866 |
| Order Status | |
| Ordered: | 2020-08-16 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-01 |
ADA-UCB-6c2cb422-1
MAT-POS-bb423b95-1
0.547
AGN-NEW-c7b24fe3-5
0.534
ADA-UCB-6c2cb422-1
0.533
MAT-POS-f7918075-5
0.532
JAN-GHE-5a013bed-10
0.529
PET-UNK-8df914d1-3
0.528
MIC-UNK-50cce87d-2
0.526
MAT-POS-f7918075-3
0.526
MIC-UNK-08cd9c58-1
0.526
SAM-UNK-2684b532-13
0.521
ALP-POS-95b75b4d-8
0.521
ALP-POS-95b75b4d-6
0.514
EDG-MED-0da5ad92-14
0.514
TRY-UNI-714a760b-3
0.514
ANN-UNI-98d2bf15-3
0.514
MAT-POS-bb423b95-8
0.513
MIC-UNK-50cce87d-3
0.513
MIC-UNK-50cce87d-1
0.513
TRY-UNI-714a760b-6
0.507
AGN-NEW-c7b24fe3-1
0.507
ABI-SAT-4d06482b-2
0.500
MIC-UNK-50cce87d-4
0.500
AGN-NEW-c7b24fe3-4
0.493
EDJ-MED-00c1612e-1
0.488
PET-UNK-8df914d1-1
0.488
MAT-POS-f7918075-8
0.487
MAT-POS-bb423b95-4
0.487
ALP-POS-95b75b4d-5
0.487
MAK-UNK-6ca90168-23
0.487
SAM-UNK-2684b532-11
0.481
MAT-POS-bb423b95-5
0.481
SAM-UNK-2684b532-12
0.481
MAT-POS-199e2e7c-1
0.475
ALP-POS-95b75b4d-7
0.474
EDG-MED-0da5ad92-17
0.474
JAN-GHE-5a013bed-8
0.472
EDG-MED-0da5ad92-2
0.472
MAT-POS-bb423b95-9
0.468
MAT-POS-14ad9fe9-1
0.464
EDJ-MED-a364e151-3
0.463
EDJ-MED-c8e7a002-14
0.463
ALP-POS-0c2c77e1-1
0.463
MAT-POS-bb423b95-3
0.463
EDG-MED-0da5ad92-21
0.459
EDG-MED-0da5ad92-16
0.459
EDJ-MED-a364e151-2
0.451
EDJ-MED-a364e151-1
0.451
MAT-POS-f7918075-4
0.451
MIC-UNK-8971c93c-1
0.451
EDJ-MED-c8e7a002-12
0.450
EDJ-MED-976da9a6-1
0.447
MAT-POS-f7918075-7
0.446
JAN-GHE-5a013bed-9
0.444
MIC-UNK-d935700b-1
0.443
EDG-MED-0da5ad92-13
0.440
EDG-MED-0da5ad92-12
0.434
EDJ-MED-976da9a6-2
0.430
JAN-GHE-5a013bed-6
0.425
PET-UNK-8df914d1-4
0.421
MAK-UNK-ffc90da7-8
0.421
EDJ-MED-49816e9b-2
0.421
MAK-UNK-ffc90da7-3
0.421
MAK-UNK-ffc90da7-5
0.421
ALP-POS-3b848b35-3
0.420
VLA-UCB-00f2c2b3-7
0.420
MAT-POS-4211dce8-1
0.415
MIC-UNK-66895286-1
0.413
JAN-GHE-5a013bed-11
0.413
EDJ-MED-50fe53e8-2
0.410
MAT-POS-f7918075-6
0.410
MAK-UNK-ffc90da7-6
0.408
EDG-MED-0da5ad92-18
0.405
MIC-UNK-d935700b-2
0.405
EDJ-MED-c8e7a002-16
0.405
MAT-POS-bb423b95-6
0.402
NAU-LAT-e1818702-10
0.400
JAN-GHE-5a013bed-7
0.400
EDJ-MED-49816e9b-3
0.397
EDJ-MED-50fe53e8-1
0.393
MAT-POS-3cc264b0-1
0.393
EDG-MED-0da5ad92-15
0.392
MIC-UNK-67d4a29a-3
0.391
PET-UNK-8df914d1-5
0.390
MAT-POS-199e2e7c-2
0.388
ALP-POS-f13221e1-3
0.388
MAK-UNK-ffc90da7-9
0.387
NAU-LAT-e1818702-7
0.385
JAG-UCB-a3ef7265-15
0.385
JAG-UCB-a3ef7265-17
0.385
EDJ-MED-c8e7a002-15
0.384
JAN-GHE-5a013bed-5
0.384
EDJ-MED-50fe53e8-3
0.381
PET-UNK-8df914d1-2
0.381
EDJ-MED-49816e9b-5
0.380
PET-UNK-c9c1e0d8-2
0.379
MAT-POS-e1b5ac6b-1
0.376
EDJ-MED-50fe53e8-4
0.376
ALP-POS-6495d03e-7
0.376
NAU-LAT-a5c7d7cb-11
0.376
EDG-MED-0da5ad92-6
0.375