Molecular Properties | |
SMILES: | C[n+]1ccn(CCc2cccc(Cl)c2)c1C#N |
MW: | 246.08 |
Fraction sp3: | 0.23 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 32.6 |
cLogP: | 2.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-09-01 |
quaternary nitrogen
Imidazolium
AAR-RCN-dbf5c5ee-1
0.780
AAR-RCN-28a8122f-1
0.515
AAR-RCN-845f9611-1
0.417
AGN-NEW-c7b24fe3-4
0.284
JOH-IMS-1436231f-5
0.283
PET-UNK-8df914d1-4
0.282
MAK-UNK-6ca90168-23
0.280
ALP-POS-f13221e1-4
0.277
MAR-TRE-d3c2bf0e-54
0.276
JOH-UNI-23d9e1b1-1
0.276
AAR-RCN-78cf61f7-1
0.275
JIN-POS-6dc588a4-9
0.271
NIC-BIO-7d400292-3
0.270
JAN-GHE-5a013bed-1
0.269
VLA-UNK-411a133b-2
0.269
NAU-LAT-e1818702-2
0.267
JAG-UCB-a3ef7265-17
0.266
JAG-UCB-a3ef7265-15
0.266
NAU-LAT-e1818702-7
0.266
VLA-UNK-411a133b-1
0.266
ALP-POS-f13221e1-3
0.264
JIN-POS-6dc588a4-24
0.264
EDJ-MED-49816e9b-5
0.263
EDJ-MED-49816e9b-3
0.263
MAT-POS-3b92565d-13
0.261
MAT-POS-0bc33984-2
0.259
PET-UNK-f92d7c0c-3
0.259
NIC-BIO-a68395b7-4
0.259
KRI-MAR-d2e3ef86-9
0.258
DAR-DIA-bd041b9b-29
0.258
JAN-GHE-5a013bed-5
0.257
VLA-UNK-0ffe3317-4
0.256
RUB-POS-1325a9ea-17
0.256
DAR-DIA-6a49afbe-1
0.256
MAT-POS-4211dce8-1
0.256
PET-UNK-6314f867-3
0.256
EDJ-MED-c8e7a002-6
0.256
JOH-UNI-ee5ed7c8-9
0.255
JOH-UNI-3fc3434e-9
0.255
ALP-POS-6495d03e-3
0.255
VLA-UCB-05e51b3f-3
0.255
DAR-DIA-bd041b9b-28
0.255
JOH-IMS-1436231f-6
0.254
AAR-POS-0daf6b7e-29
0.254
AAR-UNI-c25c2f1e-78
0.253
DAN-LON-a5fc619e-2
0.253
PET-UNK-e274cad4-6
0.253
NAU-LAT-a5c7d7cb-11
0.253
SAD-SAT-c989feaa-3
0.253
MAR-TRE-b77b7921-24
0.252
DAR-DIA-076fb6ea-6
0.250
MAT-POS-c20a539d-5
0.250
PET-UNK-6314f867-2
0.250
MED-COV-4280ac29-15
0.250
JOH-UNI-0e1753c1-3
0.250
HYO-UNK-49a60884-1
0.250
AAR-POS-d2a4d1df-35
0.250
EDG-MED-0da5ad92-13
0.250
EDG-MED-0da5ad92-21
0.250
PET-UNK-bbe8d7ff-2
0.250
JOH-UNI-0e1753c1-2
0.250
PET-UNK-f92d7c0c-7
0.250
BAR-COM-ebf5acce-13
0.247
BAR-COM-ebf5acce-9
0.247
EDJ-MED-c8e7a002-5
0.247
VLA-UNK-0ffe3317-6
0.247
EDJ-MED-b24713dc-3
0.247
DAR-DIA-076fb6ea-16
0.247
MIC-UNK-b12b7f76-2
0.247
JOH-UNI-0e1753c1-1
0.247
NAM-UNK-f7c77a48-3
0.247
DAR-DIA-093892e4-12
0.245
ALP-POS-bad7201a-15
0.245
CHO-MSK-00c5269a-3
0.245
CHO-MSK-00c5269a-1
0.245
ALP-POS-6d04362c-2
0.245
JOH-UNI-3fc3434e-8
0.244
EDJ-MED-06d94977-2
0.244
JOH-UNI-ee5ed7c8-8
0.244
EDJ-MED-b24713dc-4
0.244
JAN-GHE-f4ca5a00-14
0.244
RUB-POS-1325a9ea-24
0.244
EDG-MED-0da5ad92-15
0.244
DAN-LON-a5fc619e-8
0.244
JAN-GHE-5a013bed-7
0.244
NAU-LAT-e1818702-10
0.244
DAV-CRI-3edb475e-5
0.244
MAK-UNK-6ca90168-13
0.244
ALP-POS-8b8a49e1-7
0.244
PAT-UNK-b2d83456-1
0.244
DAR-DIA-56cf811e-4
0.242
BEN-DND-1e24cf73-5
0.242
RUB-POS-1325a9ea-23
0.241
NAU-LAT-a5c7d7cb-13
0.241
ALP-POS-76eab5ce-2
0.241
ALP-POS-90e38439-1
0.241
VLA-UCB-1dbca3b4-1
0.241
PET-UNK-8df914d1-2
0.241
MED-COV-4280ac29-13
0.241
ABI-SAT-4d06482b-2
0.241