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
MAT-POS-0c8fa4a7-4
0.500
ALP-POS-6495d03e-7
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
EDJ-MED-97c1bf5c-2
0.380
PET-UNK-8df914d1-1
0.374
EDJ-MED-00c1612e-1
0.374
NAU-LAT-a5c7d7cb-11
0.364
EDJ-MED-7bb79bc5-1
0.362
ALP-POS-6495d03e-3
0.358
EDG-MED-0da5ad92-18
0.357
JIN-POS-6dc588a4-23
0.356
NAM-UNK-f7c77a48-3
0.354
NAM-UNK-f7c77a48-4
0.354
EDJ-MED-50fe53e8-3
0.352
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
JAG-UCB-a3ef7265-17
0.337
NAU-LAT-e1818702-7
0.337
EDJ-MED-c8e7a002-6
0.333
EDJ-MED-49816e9b-5
0.333
JAN-GHE-5a013bed-3
0.330
ALP-POS-cd485364-2
0.326
JAN-GHE-5a013bed-1
0.325
JIN-POS-6dc588a4-18
0.323
MAT-POS-bb423b95-9
0.322
EDG-MED-0da5ad92-17
0.322
TRY-UNI-714a760b-3
0.322
JAG-UCB-a3ef7265-15
0.321
JAN-GHE-5a013bed-4
0.321
EDJ-MED-49816e9b-2
0.321
MAR-TRE-d0525fbf-6
0.321
EDJ-MED-97c1bf5c-1
0.320
SAM-UNK-2684b532-14
0.319
JIN-POS-6dc588a4-6
0.319
MAT-POS-3cc264b0-1
0.319
EDJ-MED-50fe53e8-1
0.319
EDG-MED-0da5ad92-14
0.318
EDJ-MED-49816e9b-3
0.318
EDG-MED-0da5ad92-12
0.318
EDJ-MED-c8e7a002-17
0.315
EDJ-MED-c8e7a002-8
0.315
JIN-POS-6dc588a4-16
0.315
JAN-GHE-5a013bed-2
0.315
PET-UNK-8df914d1-3
0.314
JAN-GHE-5a013bed-8
0.313
JAN-GHE-5a013bed-11
0.313
MIC-UNK-66895286-1
0.313
RUB-POS-1325a9ea-15
0.312
NAU-LAT-a5c7d7cb-10
0.311
EDJ-MED-c8e7a002-11
0.311
JIN-POS-6dc588a4-8
0.311
JAN-GHE-5a013bed-10
0.310
MIC-UNK-50cce87d-4
0.309
RUB-POS-1325a9ea-9
0.309
MAT-POS-4211dce8-1
0.308
JIN-POS-6dc588a4-2
0.308
JIN-POS-6dc588a4-7
0.308
JIN-POS-6dc588a4-9
0.308
ANN-UNI-98d2bf15-3
0.307
JOH-UNI-abfda500-5
0.307
PET-UNK-12d8d43f-2
0.306
EDG-MED-0da5ad92-13
0.306
ALP-POS-95b75b4d-8
0.306
EDG-MED-0da5ad92-16
0.306
SAM-UNK-2684b532-13
0.306
EDG-MED-0da5ad92-21
0.306
VLA-UCB-05e51b3f-17
0.305
JAN-GHE-5a013bed-6
0.305
JAN-GHE-5a013bed-9
0.305
ALP-POS-ddb41b15-9
0.305
JAN-GHE-f4ca5a00-12
0.303
NAU-LAT-e1818702-1
0.303
MIC-UNK-13557a72-1
0.302
ALP-POS-8b8a49e1-7
0.301
JAN-GHE-5a013bed-7
0.301
NAU-LAT-e1818702-10
0.301
EDJ-MED-c8e7a002-7
0.301
MAT-POS-199e2e7c-2
0.301
JOH-UNI-6fede743-1
0.301
EDJ-MED-c8e7a002-10
0.301
RUB-POS-1325a9ea-18
0.301
MIC-UNK-d935700b-1
0.300
JAN-GHE-f4ca5a00-16
0.300
PET-UNK-8df914d1-5
0.300
MAT-POS-bb423b95-5
0.300
MIC-UNK-67d4a29a-4
0.299
JOH-UNI-50ce7ec3-4
0.299
TRY-UNI-714a760b-6
0.299
MAT-POS-bb423b95-7
0.298