Molecule Details
| Molecular Properties | |
| SMILES: | Nc1nn(C(=O)Cc2cccc(Cl)c2)c2cc(F)ccc12 |
| MW: | 303.06 |
| Fraction sp3: | 0.07 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 60.91 |
| cLogP: | 3.29 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Shipped: | 2020-10-28 |
N-Acyl substituted azoheterocycles
aniline
MAT-POS-53907a1c-1
0.681
ALP-POS-cd485364-1
0.676
MAT-POS-0c8fa4a7-3
0.652
MAT-POS-0c8fa4a7-4
0.560
MAT-POS-0c8fa4a7-2
0.551
ALP-POS-6495d03e-7
0.519
ALP-POS-79636100-3
0.442
ALP-POS-6495d03e-3
0.400
EDJ-MED-c8e7a002-10
0.388
ALP-POS-79636100-1
0.387
ALP-POS-e2fddb0f-2
0.387
NAM-UNK-f7c77a48-3
0.387
JIN-POS-6dc588a4-11
0.384
EDJ-MED-c8e7a002-9
0.372
NAM-UNK-f7c77a48-4
0.367
JAN-GHE-5a013bed-5
0.365
EDJ-MED-c292668a-1
0.361
NAU-LAT-a5c7d7cb-11
0.360
SAD-SAT-b55127ae-1
0.354
EDG-MED-0da5ad92-18
0.354
VLA-UNK-411a133b-1
0.350
JAN-GHE-5a013bed-4
0.350
RUB-POS-1325a9ea-17
0.349
SAM-UNK-2684b532-14
0.345
RUB-POS-1325a9ea-18
0.341
JOH-UNI-6fede743-5
0.341
EDJ-MED-6e43a462-8
0.337
ALP-POS-cd485364-2
0.337
NAU-LAT-e1818702-7
0.333
PET-UNK-8df914d1-4
0.333
MAT-POS-bb423b95-9
0.333
JAN-GHE-5a013bed-6
0.333
PET-UNK-158bee2a-2
0.333
EDJ-MED-50fe53e8-3
0.333
ROB-CAM-6936528f-1
0.333
PET-UNK-158bee2a-1
0.333
VLA-UNK-4cf5aa07-1
0.333
JAG-UCB-a3ef7265-17
0.333
VLA-UCB-05e51b3f-15
0.330
PET-UNK-6c2be958-1
0.330
JIN-POS-6dc588a4-13
0.330
EDJ-MED-49816e9b-5
0.329
NAU-LAT-e1818702-10
0.329
JAN-GHE-5a013bed-7
0.329
JAN-GHE-5a013bed-3
0.326
MAT-POS-7174c657-2
0.326
MAT-POS-7174c657-3
0.326
JIN-POS-6dc588a4-16
0.326
JAN-GHE-5a013bed-2
0.326
EDG-MED-0da5ad92-15
0.325
JAN-GHE-5a013bed-8
0.325
JAN-GHE-5a013bed-11
0.325
PET-UNK-158bee2a-4
0.325
EDJ-MED-6e43a462-10
0.322
NAU-LAT-a5c7d7cb-10
0.322
EDJ-MED-c8e7a002-11
0.322
ADA-UCB-6c2cb422-1
0.322
JIN-POS-6dc588a4-8
0.322
JAN-GHE-5a013bed-1
0.321
VLA-UNK-411a133b-2
0.321
EDJ-MED-97c1bf5c-2
0.319
MAT-POS-4211dce8-1
0.318
JIN-POS-6dc588a4-7
0.318
JIN-POS-6dc588a4-2
0.318
TRY-UNI-714a760b-3
0.318
ANN-UNI-98d2bf15-3
0.318
EDG-MED-0da5ad92-17
0.318
JOH-UNI-abfda500-5
0.318
JAG-UCB-a3ef7265-15
0.317
EDJ-MED-49816e9b-2
0.317
EDG-MED-0da5ad92-13
0.317
SAM-UNK-2684b532-13
0.317
PET-UNK-158bee2a-3
0.317
ALP-POS-95b75b4d-8
0.317
JAN-GHE-5a013bed-9
0.316
JOH-UNI-a38a7bdd-1
0.316
EDJ-MED-c8e7a002-6
0.315
VLA-UCB-05e51b3f-17
0.315
BEN-DND-1e24cf73-5
0.315
EDJ-MED-c8e7a002-13
0.315
MAT-POS-3cc264b0-1
0.315
EDJ-MED-50fe53e8-1
0.315
NAU-LAT-e1818702-1
0.314
JAN-GHE-f4ca5a00-12
0.314
VLA-UNK-4cf5aa07-2
0.314
EDG-MED-0da5ad92-12
0.313
EDG-MED-0da5ad92-14
0.313
MIC-UNK-13557a72-1
0.313
EDJ-MED-49816e9b-3
0.313
ALP-POS-8b8a49e1-7
0.312
MIC-UNK-67d4a29a-2
0.312
EDJ-MED-c8e7a002-8
0.311
MAT-POS-199e2e7c-2
0.311
EDJ-MED-c5ca5386-1
0.311
EDJ-MED-c8e7a002-7
0.311
JOH-UNI-6fede743-1
0.311
PET-UNK-b1ef24dc-3
0.311
JAN-GHE-f4ca5a00-16
0.310
PET-UNK-8df914d1-5
0.310
DAR-DIA-56cf811e-5
0.310