Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1n[nH]c2ccnc(Br)c12 |
| MW: | 363.97 |
| Fraction sp3: | 0.07 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 70.67 |
| cLogP: | 3.56 |
| 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 |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter9_metal
Filter94_2_halo_pyridine
aryl bromide
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
JAG-UCB-52b62a6f-1
MAT-POS-199e2e7c-2
0.545
EDJ-MED-c8e7a002-9
0.526
EDJ-MED-c8e7a002-16
0.526
EDJ-MED-c8e7a002-11
0.506
NAU-LAT-a5c7d7cb-10
0.506
EDJ-MED-c8e7a002-6
0.488
EDG-MED-0da5ad92-15
0.461
JAN-GHE-5a013bed-8
0.446
JAN-GHE-5a013bed-11
0.446
EDJ-MED-c8e7a002-13
0.439
JAN-GHE-5a013bed-9
0.438
JAG-UCB-52b62a6f-15
0.436
EDJ-MED-49816e9b-2
0.434
EDJ-MED-49816e9b-3
0.429
JIN-POS-6dc588a4-7
0.427
JIN-POS-6dc588a4-2
0.427
MIC-UNK-66895286-1
0.427
EDJ-MED-c8e7a002-14
0.422
VLA-UNK-411a133b-2
0.421
EDJ-MED-c8e7a002-5
0.420
PET-UNK-158bee2a-2
0.419
JAN-GHE-5a013bed-6
0.419
EDG-MED-0da5ad92-18
0.418
JIN-POS-6dc588a4-15
0.417
JIN-POS-6dc588a4-16
0.417
EDG-MED-0da5ad92-21
0.416
VLA-UCB-00f2c2b3-7
0.415
JAN-GHE-5a013bed-7
0.413
NAU-LAT-e1818702-10
0.413
EDG-MED-0da5ad92-14
0.410
EDJ-MED-50fe53e8-3
0.410
PET-UNK-158bee2a-4
0.408
EDG-MED-0da5ad92-2
0.408
RUB-POS-1325a9ea-13
0.405
NAU-LAT-a5c7d7cb-11
0.405
EDJ-MED-c8e7a002-10
0.400
JIN-POS-6dc588a4-10
0.400
JIN-POS-6dc588a4-8
0.398
JAG-UCB-a3ef7265-15
0.397
NAU-LAT-e1818702-7
0.397
VLA-UNK-411a133b-1
0.397
PET-UNK-158bee2a-3
0.397
SAM-UNK-2684b532-13
0.397
EDG-MED-0da5ad92-13
0.397
JAG-UCB-a3ef7265-17
0.397
ALP-POS-95b75b4d-8
0.397
AGN-NEW-c7b24fe3-4
0.395
AGN-NEW-c7b24fe3-5
0.395
MAT-POS-bb423b95-1
0.393
RUB-POS-1325a9ea-17
0.393
EDG-MED-0da5ad92-12
0.392
ALP-POS-95b75b4d-6
0.392
AGN-NEW-c7b24fe3-1
0.390
EDJ-MED-50fe53e8-1
0.388
JIN-POS-6dc588a4-17
0.388
EDJ-MED-6e43a462-7
0.388
MAT-POS-3cc264b0-1
0.388
TRY-UNI-714a760b-6
0.388
PET-UNK-8df914d1-3
0.388
MAT-POS-29385cc1-4
0.386
MIC-UNK-d935700b-1
0.386
SAM-UNK-2684b532-12
0.386
JIN-POS-6dc588a4-4
0.386
JIN-POS-6dc588a4-3
0.386
JAN-GHE-5a013bed-10
0.385
MAT-POS-bb423b95-2
0.384
EDJ-MED-c5ca5386-1
0.384
EDJ-MED-6e43a462-5
0.384
ABI-SAT-4d06482b-2
0.383
EDJ-MED-b24713dc-2
0.381
PET-UNK-8df914d1-4
0.380
JAN-GHE-5a013bed-4
0.380
EDG-MED-0da5ad92-16
0.380
MAT-POS-f7918075-8
0.379
RUB-POS-1325a9ea-8
0.379
EDJ-MED-c8e7a002-2
0.379
MIC-UNK-7574fcc6-1
0.379
MIC-UNK-8971c93c-1
0.379
MAT-POS-f7918075-4
0.379
EDG-MED-0da5ad92-17
0.378
JOH-UNI-abfda500-4
0.378
ANN-UNI-98d2bf15-3
0.378
JOH-UNI-abfda500-5
0.378
MAT-POS-14ad9fe9-1
0.378
EDJ-MED-c8e7a002-12
0.376
EDJ-MED-49816e9b-5
0.375
JAN-GHE-f4ca5a00-12
0.373
NAU-LAT-e1818702-1
0.373
MAK-UNK-6ca90168-23
0.373
RUB-POS-1325a9ea-12
0.372
BEN-DND-02317c5c-9
0.372
EDJ-MED-50fe53e8-4
0.372
MAT-POS-500ca5bf-2
0.372
ALP-POS-90e38439-2
0.372
MIC-UNK-42806bd5-1
0.372
EDJ-MED-c8e7a002-3
0.371
SAM-UNK-2684b532-11
0.369
MAT-POS-bb423b95-5
0.369
JIN-POS-6dc588a4-5
0.369
RUB-POS-1325a9ea-19
0.369