Molecular Properties | |
SMILES: | O=C(Nc1c[n+]([O-])cc2ccccc12)[C@H]1CCOc2ccc(Cl)cc21 |
MW: | 354.08 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 65.27 |
cLogP: | 3.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 30.8918430363136 |
Order Status | |
Shipped: | 2021-01-14 |
N oxide
quaternary nitrogen
N-Oxides
EDJ-MED-eff36d94-1
1.000
MAT-POS-f7918075-1
0.655
MAT-POS-b3e365b9-2
0.655
MAT-POS-b3e365b9-1
0.655
VLA-UCB-1dbca3b4-15
0.655
JOH-SUS-a69c159d-2
0.559
NAU-LAT-b7d8c353-3
0.553
JAG-UCB-c61058a9-45
0.553
VLA-UCB-05e51b3f-18
0.553
VLA-UCB-50c39ae8-11
0.553
BEN-DND-b89db3f2-1
0.553
FRA-DIA-e29753f2-1
0.553
ALF-EVA-5b152d2f-4
0.547
PET-UNK-6314f867-1
0.546
ALP-POS-ce760d3f-7
0.543
EDJ-MED-ba7e64f2-2
0.543
EDG-MED-5d232de5-1
0.543
ADA-UCB-dc2b944c-12
0.543
JOH-SUS-a69c159d-1
0.543
JOH-UNI-f51e3bbc-1
0.543
ALP-POS-696356e4-1
0.543
EDG-MED-5d232de5-2
0.543
EDJ-MED-ba7e64f2-3
0.542
ADA-UCB-dc2b944c-11
0.537
MAK-UNK-919546f0-1
0.533
MAK-UNK-f481d203-1
0.533
MAK-UNK-f481d203-2
0.533
ALP-POS-ce760d3f-2
0.532
BEN-DND-4f474d93-3
0.532
BEN-DND-4f474d93-1
0.532
RAL-THA-b00e3cbf-1
0.531
JOH-UNI-1b27fa5e-1
0.531
JAG-UCB-52b62a6f-13
0.531
ALF-EVA-5b152d2f-1
0.531
MAK-UNK-8be7dca9-9
0.531
JOH-SUS-a69c159d-4
0.531
JOH-UNI-1b27fa5e-2
0.531
JOH-SUS-a69c159d-3
0.531
ADA-UCB-dc2b944c-8
0.531
PET-UNK-03fd2068-1
0.531
MAT-POS-7ddaf7de-2
0.531
ERI-UCB-8d4e5055-3
0.531
BEN-DND-a7517465-1
0.526
BEN-DND-a7517465-7
0.526
JOH-UNI-f51e3bbc-3
0.526
ADA-UCB-dc2b944c-9
0.526
ADA-UCB-dc2b944c-10
0.526
MAT-POS-afb6844f-1
0.522
VLA-UNK-0ffe3317-1
0.521
BEN-DND-a7517465-2
0.521
JOH-UNI-f51e3bbc-2
0.520
BEN-DND-c852c98b-5
0.520
ERI-UCB-8d4e5055-4
0.520
TET-ENA-382364b7-1
0.520
VLA-UNK-0ffe3317-7
0.516
LON-WEI-0a73fcb8-7
0.516
ERI-UCB-9c7ec71b-2
0.516
EDJ-MED-e9694d2b-1
0.516
PET-UNK-158bee2a-5
0.516
EDJ-MED-51d3200d-3
0.516
JOH-SUS-a69c159d-6
0.516
DAR-DIA-6a508060-6
0.511
MAT-POS-b3e365b9-3
0.511
MAT-POS-b3e365b9-4
0.511
BRU-CON-c4e3408a-1
0.511
JAN-GHE-f4ca5a00-13
0.511
MAT-POS-afb6844f-2
0.511
EDJ-MED-51d3200d-4
0.511
BEN-DND-4f474d93-2
0.510
BEN-DND-c852c98b-4
0.510
EDJ-MED-ba7e64f2-1
0.510
ALP-POS-ce760d3f-3
0.510
WIL-UCB-7ba4ac3a-1
0.510
RAL-THA-b9d6aec1-3
0.510
JOH-UNI-f51e3bbc-4
0.510
MAT-POS-1ecf5680-1
0.510
MAT-POS-1ecf5680-2
0.510
MAT-POS-8293a91a-1
0.505
MAT-POS-7ddaf7de-4
0.505
JAG-UCB-52b62a6f-6
0.505
ALP-POS-b3e0acc5-2
0.505
BEN-DND-a7517465-5
0.505
BEN-DND-a7517465-3
0.505
PET-UNK-e274cad4-7
0.505
PET-UNK-7f7e354d-1
0.505
ALP-POS-82da25a3-1
0.505
PET-UNK-ee8352fa-4
0.505
MAK-UNK-8be7dca9-2
0.505
VLA-UCB-05e51b3f-20
0.500
PET-UNK-b1ef24dc-5
0.500
MIC-UNK-7574fcc6-2
0.500
RAL-THA-b9d6aec1-2
0.500
BEN-DND-a7517465-11
0.500
PET-UNK-b1ef24dc-7
0.500
VLA-UCB-50c39ae8-13
0.500
MAK-UNK-8be7dca9-5
0.500
ALF-EVA-5b152d2f-2
0.500
BEN-DND-c852c98b-1
0.500
JAG-UCB-571deb56-1
0.500
RAL-THA-b9d6aec1-1
0.500