Molecular Properties | |
SMILES: | O=C(Nc1n[nH]c2ccccc12)C1CCOc2ccc(Cl)cc21 |
MW: | 327.08 |
Fraction sp3: | 0.18 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 67.01 |
cLogP: | 3.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Ordered: | 2020-09-29 |
Synthesis Location: | enamine |
Shipped: | 2020-11-04 |
VLA-UCB-1dbca3b4-15
JAG-UCB-52b62a6f-16
0.694
JAG-UCB-52b62a6f-18
0.686
JAG-UCB-52b62a6f-6
0.609
JOH-UNI-1b27fa5e-3
0.582
VLA-UCB-05e51b3f-18
0.571
FRA-DIA-e29753f2-1
0.571
BEN-DND-b89db3f2-1
0.571
JAG-UCB-c61058a9-45
0.571
NAU-LAT-b7d8c353-3
0.571
VLA-UCB-50c39ae8-11
0.571
JAG-UCB-52b62a6f-15
0.570
PET-UNK-158bee2a-5
0.568
VLA-UNK-0ffe3317-7
0.568
VLA-UCB-50c39ae8-12
0.565
JOH-UNI-1b27fa5e-2
0.565
VLA-UCB-05e51b3f-19
0.565
VLA-UCB-53bdeed6-2
0.563
JOH-UNI-f51e3bbc-1
0.560
EDJ-MED-ba7e64f2-2
0.560
ADA-UCB-b1b30a00-6
0.554
JOH-UNI-f51e3bbc-2
0.553
JOH-SUS-a69c159d-4
0.548
JOH-SUS-a69c159d-1
0.543
JOH-SUS-a69c159d-2
0.543
ADA-UCB-dc2b944c-12
0.543
VLA-UNK-0ffe3317-1
0.538
ADA-UCB-dc2b944c-11
0.538
LON-WEI-0a73fcb8-6
0.533
MAT-POS-b3e365b9-2
0.533
JOH-SUS-a69c159d-6
0.533
MAT-POS-b3e365b9-1
0.533
MAT-POS-f7918075-1
0.533
VLA-UCB-1dbca3b4-15
0.533
JOH-SUS-a69c159d-3
0.532
RAL-THA-b00e3cbf-1
0.532
JAG-UCB-52b62a6f-14
0.531
JAG-UCB-52b62a6f-9
0.527
EDJ-MED-ba7e64f2-3
0.526
ADA-UCB-dc2b944c-9
0.526
NAU-LAT-8502cac5-12
0.516
LON-WEI-0a73fcb8-7
0.516
JOH-UNI-1b27fa5e-1
0.516
ROB-UNI-569bc02e-3
0.511
MAT-POS-500f4700-1
0.511
ROB-UNI-569bc02e-5
0.511
ADA-UCB-dc2b944c-10
0.510
JOH-UNI-f51e3bbc-3
0.510
JOH-UNI-1b27fa5e-4
0.510
JAG-UCB-52b62a6f-12
0.510
JOH-UNI-f51e3bbc-4
0.510
BEN-DND-b89db3f2-2
0.506
NAU-LAT-b7d8c353-4
0.506
JAG-UCB-52b62a6f-4
0.505
JAG-UCB-52b62a6f-5
0.505
JAG-UCB-52b62a6f-7
0.505
VLA-UCB-05e51b3f-20
0.500
JAG-UCB-52b62a6f-13
0.500
ADA-UCB-dc2b944c-8
0.500
ERI-UCB-9c7ec71b-2
0.500
EDJ-MED-e9694d2b-1
0.500
VLA-UCB-53bdeed6-3
0.500
VLA-UCB-50c39ae8-13
0.500
BEN-DND-a7517465-7
0.495
EDJ-MED-eff36d94-1
0.495
ADA-UCB-b1b30a00-8
0.495
ALP-POS-ce760d3f-4
0.495
JAG-UCB-52b62a6f-8
0.495
NAU-LAT-8502cac5-13
0.495
MAT-POS-b3e365b9-4
0.495
NAU-LAT-8502cac5-11
0.495
BRU-CON-c4e3408a-1
0.495
JAN-GHE-f4ca5a00-13
0.495
DAR-DIA-6a508060-6
0.495
MAT-POS-b3e365b9-3
0.495
PET-UNK-158bee2a-7
0.494
RAL-THA-3d7a794f-1
0.489
JAG-UCB-c61058a9-9
0.489
TAT-ENA-0e28ea53-1
0.489
PET-UNK-3e029fdc-1
0.489
JAG-UCB-c61058a9-22
0.489
MAT-POS-b5c94171-1
0.489
RAL-THA-b74298ba-1
0.489
NAU-LAT-8502cac5-10
0.489
RAL-THA-3d7a794f-4
0.489
JAG-UCB-52b62a6f-10
0.485
JAG-UCB-52b62a6f-3
0.485
EDJ-MED-fb4b7746-3
0.485
EDG-MED-0e5afe9d-2
0.485
BEN-DND-4f474d93-3
0.484
EDJ-MED-51d3200d-3
0.484
BEN-DND-02317c5c-3
0.484
BEN-DND-4f474d93-1
0.484
MAT-POS-51833a24-1
0.484
ALP-POS-ce760d3f-2
0.484
MAK-UNK-919546f0-1
0.484
MAK-UNK-f481d203-1
0.484
MAK-UNK-f481d203-2
0.484
JAG-UCB-c61058a9-6
0.484
MAT-POS-a3f7f96a-2
0.484
JOH-UNI-16fcdf60-1
0.484