Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)N1CC(O)Cc2ccccc21 |
| MW: | 301.09 |
| Fraction sp3: | 0.24 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 40.54 |
| cLogP: | 2.83 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| Order Status | |
| Shipped: | 2021-07-07 |
ROB-CAM-6936528f-1
0.547
NAM-UNK-f7c77a48-3
0.465
MAT-POS-7174c657-3
0.439
EDJ-MED-c292668a-1
0.430
NAM-UNK-f7c77a48-4
0.421
SAM-UNK-2684b532-14
0.410
ALP-POS-cd485364-2
0.398
ROB-UNI-daaf9793-4
0.381
MIC-UNK-13557a72-1
0.380
SAD-SAT-b55127ae-1
0.372
MIC-UNK-b12b7f76-2
0.357
RUB-POS-1325a9ea-6
0.356
MIC-UNK-fc94cdb5-1
0.354
PET-UNK-f92d7c0c-2
0.349
RUB-POS-1325a9ea-20
0.349
PET-UNK-f92d7c0c-8
0.349
MIC-UNK-0870516a-4
0.347
ALP-POS-8b8a49e1-7
0.346
ALP-POS-90e38439-2
0.342
MAT-POS-500ca5bf-2
0.342
MIC-UNK-42806bd5-1
0.342
DAN-LON-a5fc619e-8
0.341
MAT-POS-0c8fa4a7-3
0.341
MIC-UNK-0870516a-2
0.340
ALP-POS-8b8a49e1-5
0.338
ALP-POS-90e38439-3
0.338
MIC-UNK-42806bd5-2
0.338
DAN-LON-a5fc619e-5
0.337
RUB-POS-1325a9ea-21
0.337
RUB-POS-1325a9ea-7
0.337
MIC-UNK-0870516a-3
0.337
EDJ-MED-50fe53e8-3
0.333
MIC-UNK-0870516a-1
0.333
VLA-UNK-411a133b-1
0.333
BEN-DND-1e24cf73-4
0.330
BEN-DND-1e24cf73-2
0.330
BEN-DND-1e24cf73-5
0.330
ROB-UNI-daaf9793-3
0.330
JAN-GHE-5a013bed-5
0.329
ROB-UNI-daaf9793-2
0.326
NAU-LAT-a5c7d7cb-14
0.326
ALP-POS-902f21bb-1
0.326
RUB-POS-1325a9ea-16
0.326
ALP-POS-8b8a49e1-6
0.326
PET-UNK-8df914d1-5
0.326
PET-UNK-f92d7c0c-4
0.325
PET-UNK-f92d7c0c-5
0.325
PET-UNK-f92d7c0c-9
0.323
JAN-GHE-f4ca5a00-14
0.322
JAN-GHE-f4ca5a00-17
0.322
MED-COV-4280ac29-13
0.321
ALP-POS-8b8a49e1-8
0.321
MIC-UNK-4c7b8ba7-1
0.321
JAN-GHE-5a013bed-10
0.321
VLA-UCB-1dbca3b4-2
0.318
JOH-UNI-abfda500-5
0.318
DAN-LON-a5fc619e-1
0.318
ANN-UNI-98d2bf15-3
0.318
MAT-POS-0bc33984-1
0.318
EDG-MED-0da5ad92-16
0.317
MAT-POS-53907a1c-1
0.315
ALP-POS-6495d03e-7
0.315
DAN-LON-a5fc619e-10
0.315
BEN-DND-02317c5c-9
0.315
MAT-POS-0c8fa4a7-4
0.315
NAU-LAT-a5c7d7cb-11
0.315
EDJ-MED-50fe53e8-4
0.315
EDJ-MED-a364e151-3
0.315
NAU-LAT-e1818702-1
0.314
JAN-GHE-f4ca5a00-12
0.314
PET-UNK-f92d7c0c-1
0.313
EDJ-MED-49816e9b-5
0.313
PET-UNK-f92d7c0c-6
0.313
ALP-POS-6495d03e-3
0.312
MAT-POS-199e2e7c-1
0.311
MIC-UNK-d935700b-2
0.311
JAN-GHE-f4ca5a00-16
0.310
JAN-GHE-5a013bed-2
0.310
EDG-MED-0da5ad92-15
0.310
PET-UNK-f92d7c0c-3
0.310
JAN-GHE-5a013bed-11
0.309
EDJ-MED-976da9a6-2
0.309
ALP-POS-cd485364-1
0.308
EDJ-MED-a364e151-1
0.308
MIC-UNK-8373f97b-5
0.307
DAN-LON-a5fc619e-4
0.307
RUB-POS-1325a9ea-24
0.307
VLA-UCB-00f2c2b3-7
0.307
MAT-POS-bfb445d4-2
0.307
JAN-GHE-5a013bed-1
0.305
VLA-UNK-411a133b-2
0.305
EDJ-MED-6e43a462-11
0.304
JOH-UNI-0e1753c1-3
0.304
MED-COV-4280ac29-15
0.304
AAR-POS-d2a4d1df-35
0.304
HYO-UNK-49a60884-1
0.304
BEN-DND-1e24cf73-1
0.303
JIN-POS-6dc588a4-2
0.303
NAU-LAT-a5c7d7cb-13
0.303
VLA-UCB-1dbca3b4-1
0.303