Molecule Details
| Molecular Properties | |
| SMILES: | COc1ccc2c(N)nn(C(=O)Cc3cccc(Cl)c3)c2c1 |
| MW: | 315.08 |
| Fraction sp3: | 0.12 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 70.14 |
| cLogP: | 3.16 |
| 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-0c8fa4a7-2
0.699
ALP-POS-902f21bb-1
0.681
MAT-POS-0c8fa4a7-3
0.625
ALP-POS-cd485364-1
0.544
ALP-POS-6495d03e-7
0.500
MAT-POS-0c8fa4a7-4
0.500
ALP-POS-79636100-3
0.427
EDJ-MED-c8e7a002-3
0.425
EDJ-MED-c8e7a002-1
0.420
ALP-POS-79636100-2
0.417
EDJ-MED-c8e7a002-2
0.402
MAT-POS-c20a539d-1
0.400
EDJ-MED-97c1bf5c-2
0.380
PET-UNK-8df914d1-1
0.374
EDJ-MED-00c1612e-1
0.374
BEN-DND-1e24cf73-6
0.366
NAU-LAT-a5c7d7cb-11
0.364
EDJ-MED-7bb79bc5-1
0.362
EDJ-MED-6e43a462-2
0.359
ALP-POS-6495d03e-3
0.358
EDG-MED-0da5ad92-18
0.357
EDJ-MED-6e43a462-3
0.356
JIN-POS-6dc588a4-23
0.356
EDJ-MED-6e43a462-1
0.355
NAM-UNK-f7c77a48-3
0.354
VLA-UNK-411a133b-1
0.354
NAM-UNK-f7c77a48-4
0.354
EDJ-MED-50fe53e8-3
0.352
BEN-DND-1e24cf73-7
0.351
JAN-GHE-5a013bed-5
0.351
EDG-MED-0da5ad92-15
0.345
JIN-POS-6dc588a4-3
0.345
SAD-SAT-b55127ae-1
0.341
PET-UNK-8df914d1-4
0.337
NAU-LAT-e1818702-7
0.337
JAG-UCB-a3ef7265-17
0.337
EDJ-MED-c292668a-1
0.333
EDJ-MED-c8e7a002-6
0.333
EDJ-MED-49816e9b-5
0.333
JAN-GHE-5a013bed-3
0.330
ALP-POS-cd485364-2
0.326
VLA-UNK-411a133b-2
0.325
JAN-GHE-5a013bed-1
0.325
PET-UNK-7fb4f80a-1
0.323
JIN-POS-6dc588a4-18
0.323
MAT-POS-bb423b95-9
0.322
TRY-UNI-714a760b-3
0.322
EDG-MED-0da5ad92-17
0.322
EDJ-MED-49816e9b-2
0.321
JAG-UCB-a3ef7265-15
0.321
JAN-GHE-5a013bed-4
0.321
MAR-TRE-d0525fbf-6
0.321
BEN-DND-1e24cf73-4
0.320
EDJ-MED-97c1bf5c-1
0.320
MAT-POS-c20a539d-2
0.319
EDJ-MED-50fe53e8-1
0.319
SAM-UNK-2684b532-14
0.319
MAT-POS-3cc264b0-1
0.319
JIN-POS-6dc588a4-6
0.319
EDG-MED-0da5ad92-12
0.318
EDG-MED-0da5ad92-14
0.318
EDJ-MED-49816e9b-3
0.318
EDJ-MED-c8e7a002-8
0.315
MAT-POS-7174c657-2
0.315
EDJ-MED-c8e7a002-17
0.315
JIN-POS-6dc588a4-16
0.315
JAN-GHE-5a013bed-2
0.315
PET-UNK-8df914d1-3
0.314
JAN-GHE-5a013bed-11
0.313
MIC-UNK-66895286-1
0.313
JAN-GHE-5a013bed-8
0.313
PET-UNK-7fb4f80a-2
0.313
EDJ-MED-6e43a462-10
0.312
RUB-POS-1325a9ea-15
0.312
NAU-LAT-a5c7d7cb-10
0.311
EDJ-MED-c8e7a002-11
0.311
JIN-POS-6dc588a4-8
0.311
EDJ-MED-b24713dc-2
0.311
JAN-GHE-5a013bed-10
0.310
PET-UNK-f4e47ebd-2
0.309
PET-UNK-f4e47ebd-1
0.309
PET-UNK-b38839dc-2
0.309
MAT-POS-90fd5f68-41
0.309
RUB-POS-1325a9ea-9
0.309
MIC-UNK-50cce87d-4
0.309
ROB-CAM-6936528f-1
0.308
MAT-POS-4211dce8-1
0.308
MAT-POS-90fd5f68-13
0.308
JIN-POS-6dc588a4-7
0.308
JIN-POS-6dc588a4-2
0.308
JIN-POS-6dc588a4-9
0.308
JOH-UNI-abfda500-5
0.307
ANN-UNI-98d2bf15-3
0.307
PET-UNK-158bee2a-1
0.307
VLA-UNK-4cf5aa07-1
0.307
MAT-POS-90fd5f68-2
0.306
MAT-POS-90fd5f68-6
0.306
MAT-POS-90fd5f68-39
0.306
PET-UNK-12d8d43f-2
0.306
MAT-POS-29385cc1-2
0.306