Molecule Details
| Molecular Properties | |
| SMILES: | Cc1cc(N)ncc1NC(=O)C1CCOc2ccc(Cl)cc21 |
| MW: | 317.09 |
| Fraction sp3: | 0.25 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 2 |
| TPSA: | 77.24 |
| cLogP: | 3.13 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| Order Status | |
| Shipped: | 2021-06-15 |
aniline
MAT-POS-8293a91a-1
0.750
JAN-GHE-f4ca5a00-13
0.671
DAR-DIA-6a508060-6
0.671
BRU-CON-c4e3408a-1
0.671
MAT-POS-b3e365b9-3
0.671
MAT-POS-b3e365b9-4
0.671
TAT-ENA-0e28ea53-1
0.642
MAT-POS-7ddaf7de-4
0.642
ADA-UCB-dc2b944c-12
0.605
JOH-SUS-a69c159d-1
0.605
JOH-UNI-1b27fa5e-5
0.605
MAT-POS-b5c94171-1
0.602
JOH-UNI-1b27fa5e-7
0.602
MAT-POS-afb6844f-1
0.602
PET-UNK-158bee2a-7
0.593
JOH-UNI-1b27fa5e-6
0.588
MAT-POS-afb6844f-2
0.588
MAT-POS-500f4700-1
0.588
MAT-POS-a3f7f96a-2
0.578
JAG-UCB-c61058a9-44
0.576
MAK-UNK-919546f0-1
0.576
MAK-UNK-f481d203-1
0.576
MAK-UNK-f481d203-2
0.576
MAT-POS-afb6844f-4
0.575
MAT-POS-a2421bb6-1
0.575
MAT-POS-afb6844f-3
0.575
JAG-UCB-c61058a9-41
0.571
JOH-SUS-a69c159d-2
0.568
MAT-POS-d8472c4f-6
0.567
MAT-POS-14f31916-1
0.567
ADA-UCB-b1b30a00-8
0.567
BEN-DND-a7517465-1
0.567
RAL-THA-3d7a794f-4
0.566
JAG-UCB-c61058a9-7
0.565
MAT-POS-a2421bb6-4
0.563
MIC-UNK-b904ca85-2
0.562
MAT-POS-afb6844f-5
0.562
ADA-UCB-dc2b944c-11
0.562
JOH-UNI-f51e3bbc-2
0.560
VLA-UCB-53bdeed6-3
0.558
ERI-UCB-9c7ec71b-2
0.558
EDJ-MED-e9694d2b-1
0.558
LON-WEI-0a73fcb8-7
0.558
EDJ-MED-51d3200d-3
0.557
PET-UNK-b1ef24dc-7
0.557
JOH-SUS-a69c159d-3
0.556
RAL-THA-b00e3cbf-1
0.556
MAT-POS-51833a24-5
0.556
EDJ-MED-fb4b7746-2
0.556
JOH-SUS-a69c159d-4
0.556
ALF-EVA-5b152d2f-2
0.556
MIC-UNK-b904ca85-4
0.554
NAU-LAT-8502cac5-16
0.553
JAG-UCB-c61058a9-11
0.552
EDJ-MED-51d3200d-4
0.552
JOH-SUS-a69c159d-5
0.549
NAU-LAT-8502cac5-10
0.548
RAL-THA-b74298ba-1
0.548
ALP-POS-b3e0acc5-2
0.545
PET-UNK-e274cad4-7
0.544
MAT-POS-14f31916-4
0.543
MAT-POS-51833a24-4
0.543
NAU-LAT-b7d8c353-1
0.540
MAT-POS-f7918075-1
0.539
VLA-UCB-1dbca3b4-15
0.539
PET-UNK-b1ef24dc-8
0.539
PET-UNK-b1ef24dc-5
0.539
MIC-UNK-7574fcc6-2
0.539
MAT-POS-b3e365b9-2
0.539
BEN-DND-4f474d93-1
0.539
BEN-DND-4f474d93-3
0.539
ALP-POS-ce760d3f-2
0.539
MAT-POS-b3e365b9-1
0.539
JOH-UNI-1b27fa5e-1
0.538
EDJ-MED-fb4b7746-3
0.538
ADA-UCB-dc2b944c-8
0.538
EDG-MED-0e5afe9d-2
0.538
EDJ-MED-fb4b7746-1
0.538
BEN-DND-a7517465-11
0.538
MAT-POS-a2421bb6-3
0.538
MAT-POS-2bb0cf2b-2
0.538
NAU-LAT-8502cac5-11
0.535
RAL-THA-b74298ba-3
0.535
EDG-MED-fe7487f8-9
0.535
EDJ-MED-ba7e64f2-1
0.533
EDG-MED-5d232de5-2
0.533
PET-UNK-b38839dc-3
0.533
BEN-DND-4f474d93-2
0.533
BEN-DND-c852c98b-4
0.533
BEN-DND-c852c98b-8
0.533
ALP-POS-ce760d3f-7
0.533
ALP-POS-696356e4-1
0.533
ALP-POS-ce760d3f-3
0.533
BEN-DND-a7517465-10
0.533
EDG-MED-5d232de5-1
0.533
EDJ-MED-51d3200d-1
0.533
MAT-POS-a2421bb6-2
0.533
EDJ-MED-51d3200d-2
0.533
PET-UNK-e274cad4-2
0.533
MIC-UNK-b904ca85-1
0.532