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-b3e365b9-3
1.000
DAR-DIA-6a508060-6
1.000
JAN-GHE-f4ca5a00-13
1.000
BRU-CON-c4e3408a-1
1.000
MAK-UNK-f481d203-1
0.714
EDJ-MED-e9694d2b-1
0.714
MAK-UNK-919546f0-1
0.714
MAK-UNK-f481d203-2
0.714
ERI-UCB-9c7ec71b-2
0.714
LON-WEI-0a73fcb8-7
0.692
ALP-POS-ce760d3f-2
0.646
BEN-DND-4f474d93-1
0.646
BEN-DND-4f474d93-3
0.646
NAU-LAT-b7d8c353-6
0.644
BEN-DND-4f474d93-2
0.639
ALP-POS-ce760d3f-3
0.639
BEN-DND-a7517465-7
0.635
NAU-LAT-b7d8c353-5
0.628
BEN-DND-a7517465-1
0.616
ALF-EVA-5b152d2f-2
0.605
RAL-THA-3d7a794f-4
0.600
MAT-POS-f7918075-1
0.588
MAT-POS-b3e365b9-1
0.588
MAT-POS-b3e365b9-2
0.588
VLA-UCB-1dbca3b4-15
0.588
ADA-UCB-dc2b944c-8
0.586
BEN-DND-a7517465-11
0.584
EDG-MED-5d232de5-1
0.581
EDG-MED-5d232de5-2
0.581
ADA-UCB-dc2b944c-12
0.581
BEN-DND-c852c98b-4
0.581
ALP-POS-ce760d3f-7
0.581
JOH-SUS-a69c159d-1
0.581
JOH-UNI-1b27fa5e-5
0.581
BEN-DND-c852c98b-8
0.581
ALP-POS-696356e4-1
0.581
BEN-DND-a7517465-10
0.581
JAG-UCB-c61058a9-7
0.578
JOH-UNI-1b27fa5e-7
0.578
ADA-UCB-6c2cb422-2
0.575
BEN-DND-a7517465-5
0.575
BEN-DND-a7517465-3
0.575
BEN-DND-a7517465-2
0.575
MAT-POS-f9802937-7
0.573
BEN-DND-c852c98b-3
0.573
BEN-DND-c852c98b-5
0.573
EDG-MED-0e5afe9d-1
0.571
VLA-UCB-53bdeed6-3
0.571
EDJ-MED-fb4b7746-4
0.571
EDJ-MED-fb4b7746-2
0.568
EDG-MED-0e5afe9d-2
0.568
MAK-UNK-8be7dca9-9
0.568
EDJ-MED-fb4b7746-3
0.568
EDJ-MED-fb4b7746-1
0.567
MAT-POS-2bb0cf2b-2
0.567
JOH-UNI-1b27fa5e-6
0.565
JAG-UCB-c61058a9-11
0.565
BEN-DND-c852c98b-10
0.562
MAK-UNK-8be7dca9-7
0.562
BEN-DND-a7517465-8
0.562
NAU-LAT-8502cac5-10
0.561
RAL-THA-b74298ba-1
0.561
BEN-DND-a7517465-6
0.560
NAU-LAT-b7d8c353-2
0.556
JOH-UNI-f51e3bbc-2
0.556
ALF-EVA-5b152d2f-8
0.554
JAG-UCB-c61058a9-44
0.553
JAG-UCB-52b62a6f-16
0.551
JAG-UCB-52b62a6f-13
0.551
MAK-UNK-8be7dca9-5
0.549
BEN-DND-c852c98b-1
0.549
BEN-DND-c852c98b-7
0.549
BEN-DND-a7517465-9
0.548
BEN-DND-c852c98b-9
0.548
NAU-LAT-8502cac5-16
0.548
RAL-THA-b74298ba-3
0.548
NAU-LAT-8502cac5-11
0.548
EDG-MED-fe7487f8-9
0.548
JAG-UCB-c61058a9-41
0.548
RAL-THA-3d7a794f-3
0.547
RAL-THA-3d7a794f-2
0.547
JOH-SUS-a69c159d-2
0.545
NAU-LAT-b7d8c353-8
0.543
ALF-EVA-5b152d2f-7
0.543
ALF-EVA-5b152d2f-5
0.543
MAK-UNK-8be7dca9-6
0.543
MAK-UNK-8be7dca9-8
0.543
PET-UNK-3e029fdc-1
0.541
RAL-THA-3d7a794f-1
0.541
JAG-UCB-c61058a9-22
0.541
ADA-UCB-dc2b944c-11
0.539
BEN-DND-c852c98b-6
0.538
MAK-UNK-8be7dca9-2
0.538
JAG-UCB-c61058a9-6
0.536
JOH-UNI-16fcdf60-1
0.536
JOH-UNI-d0d90dc1-3
0.535
NAU-LAT-b7d8c353-1
0.535
ROB-UNI-569bc02e-7
0.533
VLA-UCB-05e51b3f-20
0.533
VLA-UCB-50c39ae8-13
0.533