Molecule Details
| Molecular Properties | |
| SMILES: | N#Cc1nccn1CCc1cccc(Cl)c1 |
| MW: | 231.06 |
| Fraction sp3: | 0.17 |
| HBA: | 3 |
| HBD: | 0 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.61 |
| cLogP: | 2.65 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Shipped: | 2020-09-01 |
AAR-RCN-845f9611-1
0.754
AAR-RCN-521d1733-1
0.515
AAR-RCN-78cf61f7-1
0.471
AAR-RCN-dbf5c5ee-1
0.451
AGN-NEW-c7b24fe3-4
0.325
MAK-UNK-6ca90168-23
0.321
NAU-LAT-e1818702-2
0.305
JIN-POS-6dc588a4-17
0.305
DAR-DIA-bd041b9b-29
0.304
JIN-POS-6dc588a4-24
0.301
ALP-POS-f13221e1-4
0.300
RUB-POS-1325a9ea-8
0.298
ALP-POS-90e38439-3
0.293
MIC-UNK-42806bd5-2
0.293
ALP-POS-8b8a49e1-5
0.293
PET-UNK-8df914d1-2
0.293
EDJ-MED-49816e9b-2
0.289
PET-UNK-8df914d1-4
0.289
EDJ-MED-6e43a462-7
0.289
JOH-UNI-ee5ed7c8-9
0.289
JOH-UNI-3fc3434e-9
0.289
DAR-DIA-bd041b9b-28
0.287
EDJ-MED-6e43a462-5
0.286
EDJ-MED-6e43a462-4
0.286
EDG-MED-0da5ad92-14
0.286
ALP-POS-f13221e1-3
0.286
PET-UNK-bbe8d7ff-2
0.286
EDJ-MED-b24713dc-3
0.282
JAN-GHE-5a013bed-5
0.282
JAN-GHE-5a013bed-8
0.280
JAN-GHE-5a013bed-11
0.280
JOH-IMS-1436231f-6
0.279
AAR-POS-0daf6b7e-29
0.279
EDJ-MED-6e43a462-12
0.279
JOH-UNI-3fc3434e-8
0.279
JOH-UNI-ee5ed7c8-8
0.279
EDG-MED-0da5ad92-18
0.278
VLA-UNK-0ffe3317-4
0.277
VLA-UNK-411a133b-2
0.276
JAN-GHE-5a013bed-1
0.276
PET-UNK-6314f867-3
0.276
AGN-NEW-c7b24fe3-5
0.275
DAR-DIA-56cf811e-4
0.275
JOH-UNI-0e1753c1-2
0.274
MIC-UNK-5ce21166-1
0.274
EDJ-MED-50fe53e8-4
0.274
PET-UNK-e274cad4-6
0.274
BEN-DND-02317c5c-9
0.274
JAG-UCB-a3ef7265-15
0.273
EDG-MED-0da5ad92-13
0.273
JAG-UCB-a3ef7265-17
0.273
NAU-LAT-e1818702-7
0.273
VLA-UNK-411a133b-1
0.273
EDG-MED-0da5ad92-21
0.273
ALP-POS-91609ae9-1
0.272
AGN-NEW-c7b24fe3-1
0.272
EDJ-MED-6e43a462-6
0.271
TRY-UNI-1fd04853-5
0.271
JIN-POS-6dc588a4-15
0.271
PET-UNK-158bee2a-2
0.270
MAR-TRE-b77b7921-24
0.270
DAR-DIA-076fb6ea-6
0.270
PET-UNK-6314f867-2
0.270
MAT-POS-c20a539d-5
0.270
PET-UNK-f92d7c0c-1
0.269
EDJ-MED-49816e9b-3
0.269
EDJ-MED-49816e9b-5
0.269
PET-UNK-f92d7c0c-6
0.269
MIC-UNK-13557a72-1
0.269
SAM-UNK-2684b532-12
0.268
PET-UNK-e8c7a26f-2
0.268
JIN-POS-6dc588a4-4
0.268
MAR-TRE-4b834d9a-66
0.268
VLA-UNK-0ffe3317-6
0.267
MAT-POS-3b92565d-13
0.267
EDJ-MED-b24713dc-1
0.267
EDJ-MED-6e43a462-10
0.267
DAR-DIA-bd041b9b-27
0.267
MAK-UNK-6ca90168-13
0.267
ALP-POS-8b8a49e1-7
0.267
MAR-TRE-d3c2bf0e-54
0.267
BAR-COM-ebf5acce-13
0.266
MAT-POS-ea426761-70
0.266
EDG-MED-0da5ad92-15
0.266
ASH-SAT-43770c7d-3
0.266
NAU-LAT-a5c7d7cb-12
0.265
MAT-POS-bfb445d4-2
0.265
PET-UNK-e44ffd04-1
0.265
BEN-DND-02317c5c-8
0.265
JOH-UNI-61f30276-1
0.265
MAK-UNK-7732b35b-15
0.265
KRI-MAR-d2e3ef86-9
0.264
EDJ-MED-b24713dc-4
0.264
BAR-COM-ebf5acce-2
0.264
PET-UNK-f92d7c0c-5
0.263
ALP-POS-90e38439-2
0.263
MIC-UNK-42806bd5-1
0.263
EDG-MED-0da5ad92-2
0.263
PET-UNK-158bee2a-4
0.263
MAT-POS-500ca5bf-2
0.263