Molecule Details
| Molecular Properties | |
| SMILES: | N#Cc1nccn1CCCc1cccc(Cl)c1 |
| MW: | 245.07 |
| Fraction sp3: | 0.23 |
| HBA: | 3 |
| HBD: | 0 |
| Rotatable Bonds: | 4 |
| TPSA: | 41.61 |
| cLogP: | 3.04 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Shipped: | 2020-09-01 |
AAR-RCN-28a8122f-1
0.754
AAR-RCN-dbf5c5ee-1
0.544
AAR-RCN-78cf61f7-1
0.457
AAR-RCN-521d1733-1
0.417
AGN-NEW-c7b24fe3-4
0.316
JIN-POS-6dc588a4-17
0.298
RUB-POS-1325a9ea-8
0.291
ALP-POS-90e38439-3
0.286
MIC-UNK-42806bd5-2
0.286
ALP-POS-8b8a49e1-5
0.286
DAR-DIA-bd041b9b-29
0.284
MIC-UNK-5ce21166-1
0.284
NAU-LAT-e1818702-2
0.282
MAK-UNK-6ca90168-23
0.280
JIN-POS-6dc588a4-15
0.279
JIN-POS-6dc588a4-24
0.279
ALP-POS-f13221e1-4
0.277
JAN-GHE-5a013bed-11
0.273
ALP-POS-8b8a49e1-8
0.272
AAR-POS-0daf6b7e-29
0.271
JOH-IMS-1436231f-6
0.271
PET-UNK-6314f867-3
0.270
AGN-NEW-c7b24fe3-5
0.268
DAR-DIA-bd041b9b-28
0.268
EDJ-MED-6e43a462-7
0.267
PET-UNK-8df914d1-4
0.266
EDJ-MED-49816e9b-2
0.266
ALP-POS-91609ae9-1
0.265
EDJ-MED-6e43a462-4
0.264
PET-UNK-bbe8d7ff-2
0.264
EDJ-MED-6e43a462-5
0.264
MIC-UNK-5ce21166-2
0.263
EDG-MED-0da5ad92-14
0.263
PET-UNK-f92d7c0c-1
0.263
PET-UNK-f92d7c0c-6
0.263
MIC-UNK-13557a72-1
0.263
DAR-DIA-bd041b9b-27
0.262
EDJ-MED-b24713dc-3
0.261
ALP-POS-8b8a49e1-7
0.260
JOH-UNI-3fc3434e-8
0.258
JOH-UNI-ee5ed7c8-8
0.258
MAK-UNK-7732b35b-15
0.257
JAN-GHE-5a013bed-5
0.257
PET-UNK-f92d7c0c-5
0.256
ALP-POS-90e38439-2
0.256
MIC-UNK-42806bd5-1
0.256
JAN-GHE-5a013bed-8
0.256
MAT-POS-500ca5bf-2
0.256
PET-UNK-f92d7c0c-4
0.256
EDG-MED-0da5ad92-18
0.256
ABI-SAT-4d06482b-2
0.256
VLA-UNK-0ffe3317-4
0.256
PET-UNK-8df914d1-2
0.256
DAR-DIA-56cf811e-4
0.255
JOH-UNI-3fc3434e-9
0.255
MED-COV-4280ac29-3
0.255
JOH-UNI-ee5ed7c8-9
0.255
JAN-GHE-5a013bed-1
0.253
JAG-UCB-cedd89ab-2
0.253
VLA-UNK-411a133b-2
0.253
MAT-POS-6da3605a-2
0.253
EDJ-MED-50fe53e8-4
0.253
SAD-SAT-7d5528d9-46
0.253
BEN-DND-02317c5c-9
0.253
MAR-TRE-b77b7921-24
0.252
DAR-DIA-076fb6ea-6
0.250
VLA-UNK-411a133b-1
0.250
EDJ-MED-6e43a462-6
0.250
ALP-POS-f13221e1-3
0.250
ALP-POS-95b75b4d-11
0.250
AGN-NEW-c7b24fe3-1
0.250
JAG-UCB-a3ef7265-15
0.250
NAU-LAT-e1818702-7
0.250
JAG-UCB-a3ef7265-17
0.250
MAT-POS-199e2e7c-2
0.250
EDG-MED-0da5ad92-21
0.250
EDG-MED-0da5ad92-13
0.250
JOH-UNI-0e1753c1-2
0.250
BAR-COM-ebf5acce-13
0.247
MAK-UNK-849bee6c-8
0.247
EDJ-MED-6e43a462-10
0.247
VLA-UNK-0ffe3317-6
0.247
EDJ-MED-b24713dc-1
0.247
SAD-SAT-7d5528d9-17
0.247
PET-UNK-e8c7a26f-2
0.247
JIN-POS-6dc588a4-4
0.247
SAM-UNK-2684b532-12
0.247
EDJ-MED-49816e9b-3
0.247
EDJ-MED-49816e9b-5
0.247
PET-UNK-158bee2a-2
0.247
BAR-COM-ebf5acce-2
0.245
EDJ-MED-b24713dc-4
0.244
EDJ-MED-6e43a462-12
0.244
BEN-DND-02317c5c-8
0.244
MAT-POS-bfb445d4-2
0.244
PET-UNK-e44ffd04-1
0.244
NAU-LAT-a5c7d7cb-12
0.244
EDG-MED-0da5ad92-6
0.244
ASH-SAT-43770c7d-3
0.244
EDG-MED-0da5ad92-15
0.244