Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)[C@@H]1CCOc2ccc(Cl)cc21 |
| MW: | 302.08 |
| Fraction sp3: | 0.25 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 51.22 |
| cLogP: | 3.55 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-09-10 |
| Synthesis Location: | enamine |
| Shipped: | 2020-10-06 |
VLA-UCB-1dbca3b4-15
MAT-POS-b3e365b9-4
1.000
BRU-CON-c4e3408a-1
1.000
DAR-DIA-6a508060-6
1.000
MAT-POS-b3e365b9-3
1.000
ERI-UCB-9c7ec71b-2
0.714
MAK-UNK-919546f0-1
0.714
MAK-UNK-f481d203-1
0.714
EDJ-MED-e9694d2b-1
0.714
MAK-UNK-f481d203-2
0.714
LON-WEI-0a73fcb8-7
0.692
MAT-POS-8293a91a-1
0.679
MAT-POS-1f3c8e6f-1
0.671
MAT-POS-afb6844f-1
0.658
MAT-POS-7ddaf7de-4
0.658
BEN-DND-4f474d93-3
0.646
EDJ-MED-51d3200d-3
0.646
BEN-DND-4f474d93-1
0.646
ALP-POS-ce760d3f-2
0.646
NAU-LAT-b7d8c353-6
0.644
MAT-POS-afb6844f-2
0.642
ALP-POS-ce760d3f-3
0.639
BEN-DND-4f474d93-2
0.639
BEN-DND-a7517465-7
0.635
NAU-LAT-b7d8c353-5
0.628
MAT-POS-afb6844f-3
0.627
MAT-POS-14f31916-1
0.616
BEN-DND-a7517465-1
0.616
MAT-POS-d8472c4f-6
0.616
MAT-POS-a3f7f96a-2
0.613
PET-UNK-7f7e354d-1
0.612
MIC-UNK-b904ca85-2
0.612
MAT-POS-14f31916-4
0.609
PET-UNK-158bee2a-7
0.608
PET-UNK-b1ef24dc-7
0.607
PET-UNK-b1ef24dc-8
0.607
MAT-POS-a2421bb6-1
0.607
ALF-EVA-5b152d2f-2
0.605
EDJ-MED-51d3200d-4
0.602
RAL-THA-3d7a794f-4
0.600
MAT-POS-b5c94171-1
0.598
ALP-POS-b3e0acc5-2
0.595
PET-UNK-e274cad4-7
0.593
MAT-POS-14f31916-5
0.593
MIC-UNK-7574fcc6-2
0.588
MAT-POS-f7918075-1
0.588
PET-UNK-b1ef24dc-5
0.588
MAT-POS-b3e365b9-2
0.588
VLA-UCB-1dbca3b4-15
0.588
MAT-POS-b3e365b9-1
0.588
MAT-POS-afb6844f-4
0.588
ADA-UCB-dc2b944c-8
0.586
MIC-UNK-b904ca85-4
0.584
BEN-DND-a7517465-11
0.584
MAT-POS-500f4700-1
0.583
PET-UNK-b38839dc-3
0.581
JOH-SUS-a69c159d-1
0.581
JOH-UNI-1b27fa5e-5
0.581
BEN-DND-c852c98b-4
0.581
BEN-DND-c852c98b-8
0.581
ALP-POS-ce760d3f-7
0.581
ALP-POS-696356e4-1
0.581
BEN-DND-a7517465-10
0.581
EDG-MED-5d232de5-1
0.581
EDG-MED-5d232de5-2
0.581
EDJ-MED-ba7e64f2-1
0.581
ADA-UCB-dc2b944c-12
0.581
EDJ-MED-51d3200d-2
0.580
MAT-POS-a2421bb6-2
0.580
EDJ-MED-51d3200d-1
0.580
PET-UNK-e274cad4-2
0.580
JAG-UCB-c61058a9-7
0.578
TAT-ENA-0e28ea53-1
0.578
JOH-UNI-1b27fa5e-7
0.578
MIC-UNK-b904ca85-1
0.578
MIC-UNK-b904ca85-3
0.578
MAT-POS-acfe5bae-1
0.578
MAT-POS-ee5e8e94-2
0.578
MAT-POS-a2421bb6-4
0.576
ADA-UCB-6c2cb422-2
0.575
BEN-DND-a7517465-2
0.575
PET-UNK-b1ef24dc-6
0.575
BEN-DND-a7517465-3
0.575
BEN-DND-a7517465-5
0.575
MAT-POS-afb6844f-5
0.575
MAT-POS-14f31916-2
0.573
MAT-POS-8040981b-1
0.573
PET-UNK-ee8352fa-4
0.573
BEN-DND-c852c98b-3
0.573
BEN-DND-c852c98b-5
0.573
MAT-POS-f9802937-7
0.573
ERI-UCB-8d4e5055-4
0.573
MAT-POS-acfe5bae-5
0.573
MAT-POS-14f31916-3
0.571
EDJ-MED-fb4b7746-4
0.571
EDG-MED-0e5afe9d-1
0.571
VLA-UCB-53bdeed6-3
0.571
TET-ENA-1a76f195-1
0.571
MAT-POS-ee5e8e94-1
0.571
TET-ENA-382364b7-1
0.571
EDJ-MED-fb4b7746-2
0.568