Molecular Properties | |
SMILES: | C[n+]1ccn(CCCc2cccc(Cl)c2)c1C#N |
MW: | 260.09 |
Fraction sp3: | 0.29 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 32.6 |
cLogP: | 2.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-09-01 |
quaternary nitrogen
Imidazolium
AAR-RCN-521d1733-1
0.780
AAR-RCN-845f9611-1
0.544
AAR-RCN-28a8122f-1
0.451
AGN-NEW-c7b24fe3-4
0.289
NAU-LAT-e1818702-2
0.273
PET-UNK-8df914d1-4
0.272
ALP-POS-f13221e1-4
0.267
JOH-UNI-23d9e1b1-1
0.266
MAT-POS-0bc33984-2
0.265
AAR-RCN-78cf61f7-1
0.265
ALP-POS-8b8a49e1-8
0.262
PET-UNK-6314f867-3
0.261
VLA-UNK-411a133b-2
0.259
JAN-GHE-5a013bed-1
0.259
JAG-UCB-a3ef7265-15
0.256
NAU-LAT-e1818702-7
0.256
VLA-UNK-411a133b-1
0.256
JAG-UCB-a3ef7265-17
0.256
MAK-UNK-6ca90168-23
0.256
JIN-POS-6dc588a4-24
0.256
ALP-POS-f13221e1-3
0.256
PET-UNK-6314f867-2
0.255
MAT-POS-c20a539d-5
0.255
EDJ-MED-49816e9b-3
0.253
EDJ-MED-49816e9b-5
0.253
DAR-DIA-bd041b9b-29
0.250
PET-UNK-f92d7c0c-3
0.250
ALP-POS-8b8a49e1-7
0.250
PAT-UNK-b2d83456-1
0.250
JOH-UNI-ee5ed7c8-8
0.250
JOH-UNI-3fc3434e-8
0.250
RUB-POS-1325a9ea-24
0.250
JOH-IMS-1436231f-5
0.250
DAR-DIA-bd041b9b-28
0.248
VLA-UCB-05e51b3f-3
0.248
DAR-DIA-56cf811e-4
0.247
ALP-POS-6495d03e-3
0.247
NIC-BIO-7d400292-3
0.247
RUB-POS-1325a9ea-17
0.247
ALP-POS-90e38439-1
0.247
RUB-POS-1325a9ea-23
0.247
VLA-UCB-1dbca3b4-1
0.247
JIN-POS-6dc588a4-9
0.247
VLA-UNK-0ffe3317-4
0.247
MAT-POS-4211dce8-1
0.247
NAU-LAT-a5c7d7cb-13
0.247
ABI-SAT-4d06482b-2
0.247
MAK-UNK-e4a48a85-9
0.247
MIC-UNK-42806bd5-1
0.247
MAT-POS-500ca5bf-2
0.247
ALP-POS-90e38439-2
0.247
JAN-GHE-5a013bed-5
0.247
PET-UNK-e274cad4-6
0.244
SAD-SAT-c989feaa-3
0.244
MAT-POS-0bc33984-1
0.244
AGN-NEW-c7b24fe3-5
0.244
DAN-LON-a5fc619e-2
0.244
MAT-POS-6da3605a-2
0.244
JAG-UCB-cedd89ab-2
0.244
MIC-UNK-fc94cdb5-1
0.244
JOH-IMS-1436231f-6
0.243
AAR-POS-0daf6b7e-29
0.243
DAR-DIA-bd041b9b-27
0.243
DAR-DIA-076fb6ea-6
0.242
PET-UNK-bbe8d7ff-2
0.242
PET-UNK-f92d7c0c-7
0.241
EDG-MED-0da5ad92-21
0.241
EDG-MED-0da5ad92-13
0.241
DAR-DIA-bd041b9b-32
0.241
HYO-UNK-49a60884-1
0.241
MED-COV-4280ac29-15
0.241
JOH-UNI-0e1753c1-2
0.241
AAR-POS-d2a4d1df-35
0.241
JOH-UNI-0e1753c1-3
0.241
BAR-COM-ebf5acce-13
0.240
BAR-COM-ebf5acce-9
0.240
VLA-UNK-0ffe3317-6
0.239
EDJ-MED-b24713dc-3
0.239
MIC-UNK-b12b7f76-2
0.239
MIC-UNK-13557a72-1
0.238
JOH-UNI-0e1753c1-1
0.238
ALP-POS-6d04362c-2
0.238
CHO-MSK-00c5269a-1
0.238
ALP-POS-bad7201a-15
0.238
CHO-MSK-00c5269a-3
0.238
NAM-UNK-f7c77a48-3
0.237
AAR-POS-0daf6b7e-10
0.237
EDJ-MED-b24713dc-4
0.237
EDJ-MED-06d94977-2
0.237
KRI-MAR-d2e3ef86-9
0.237
MIC-UNK-8373f97b-5
0.236
NIC-BIO-a68395b7-4
0.236
MED-COV-4280ac29-36
0.235
EDG-MED-0da5ad92-15
0.235
DAN-LON-a5fc619e-8
0.235
JOH-UNI-3fc3434e-9
0.235
JOH-UNI-ee5ed7c8-9
0.235
MAR-TRE-d3c2bf0e-54
0.235
JAN-GHE-5a013bed-7
0.235
DAV-CRI-3edb475e-5
0.235