Molecular Properties | |
SMILES: | O=C(Nc1[nH]nc2cccnc12)C1CCOc2ccc(Cl)cc21 |
MW: | 328.07 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 79.9 |
cLogP: | 3.12 |
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: | 2020-11-17 |
VLA-UCB-1dbca3b4-15
JAG-UCB-52b62a6f-6
0.621
JAG-UCB-52b62a6f-5
0.582
JAG-UCB-52b62a6f-9
0.554
JAG-UCB-52b62a6f-4
0.548
JAG-UCB-52b62a6f-12
0.537
JAG-UCB-52b62a6f-8
0.537
NAU-LAT-8502cac5-12
0.527
VLA-UCB-53bdeed6-2
0.522
JAG-UCB-c61058a9-6
0.511
MAT-POS-a3f7f96a-2
0.511
LON-WEI-0a73fcb8-6
0.511
VLA-UNK-0ffe3317-7
0.511
PET-UNK-158bee2a-5
0.511
EDJ-MED-e9694d2b-1
0.511
VLA-UCB-53bdeed6-3
0.511
ERI-UCB-9c7ec71b-2
0.511
PET-UNK-158bee2a-7
0.506
NAU-LAT-8502cac5-11
0.505
ROB-UNI-569bc02e-3
0.505
MAT-POS-500f4700-1
0.505
JAG-UCB-52b62a6f-17
0.505
ROB-UNI-569bc02e-5
0.505
RAL-THA-9041a04d-6
0.505
NAU-LAT-8502cac5-10
0.500
RAL-THA-b74298ba-1
0.500
ADA-UCB-b1b30a00-6
0.500
BEN-DND-b89db3f2-2
0.500
MAT-POS-b5c94171-1
0.500
VLA-UNK-0ffe3317-1
0.500
NAU-LAT-b7d8c353-4
0.500
JAG-UCB-52b62a6f-15
0.500
MAT-POS-a2421bb6-4
0.500
VLA-UCB-50c39ae8-12
0.495
VLA-UCB-05e51b3f-19
0.495
JAG-UCB-52b62a6f-16
0.495
JOH-SUS-a69c159d-4
0.495
JOH-UNI-1b27fa5e-1
0.495
BEN-DND-02317c5c-3
0.495
MAT-POS-51833a24-1
0.495
JOH-UNI-16fcdf60-1
0.495
JAG-UCB-52b62a6f-19
0.490
ADA-UCB-b1b30a00-8
0.490
JAG-UCB-52b62a6f-18
0.490
ADA-UCB-dc2b944c-12
0.490
NAU-LAT-8502cac5-13
0.490
JOH-SUS-a69c159d-2
0.490
JOH-SUS-a69c159d-1
0.490
MAT-POS-afb6844f-2
0.489
NAU-LAT-8502cac5-15
0.489
NAU-LAT-8502cac5-16
0.489
BRU-CON-c4e3408a-1
0.489
DAR-DIA-6a508060-6
0.489
JAN-GHE-f4ca5a00-13
0.489
JAG-UCB-c61058a9-41
0.489
MAT-POS-b3e365b9-3
0.489
MAT-POS-b3e365b9-4
0.489
MIC-UNK-42806bd5-4
0.489
RAL-THA-9041a04d-2
0.485
ADA-UCB-dc2b944c-11
0.485
MAT-POS-8293a91a-1
0.484
TAT-ENA-0e28ea53-1
0.484
JOH-UNI-1b27fa5e-7
0.484
JAG-UCB-c61058a9-9
0.484
JAG-UCB-c61058a9-7
0.484
RAL-THA-3d7a794f-4
0.484
RAL-THA-9041a04d-1
0.480
RAL-THA-9041a04d-4
0.480
RAL-THA-b00e3cbf-1
0.480
MAT-POS-a54ce14d-1
0.480
VLA-UCB-05e51b3f-20
0.480
JAG-UCB-52b62a6f-13
0.480
JOH-SUS-a69c159d-3
0.480
EDJ-MED-fb4b7746-2
0.480
VLA-UCB-50c39ae8-13
0.480
EDJ-MED-51d3200d-3
0.479
MAT-POS-b3e365b9-2
0.479
MAT-POS-b3e365b9-1
0.479
VLA-UCB-1dbca3b4-15
0.479
MAT-POS-f7918075-1
0.479
BEN-DND-4f474d93-1
0.479
BEN-DND-4f474d93-3
0.479
ALP-POS-ce760d3f-2
0.479
LON-WEI-0a73fcb8-7
0.479
ERI-UCB-9c7ec71b-4
0.479
MAT-POS-1f3c8e6f-1
0.479
EDG-MED-fe7487f8-8
0.479
MAK-UNK-919546f0-1
0.479
MAK-UNK-f481d203-2
0.479
MAK-UNK-f481d203-1
0.479
MIC-UNK-42806bd5-3
0.478
ALP-POS-8b8a49e1-1
0.478
ADA-UCB-dc2b944c-10
0.475
JOH-UNI-1b27fa5e-4
0.475
JOH-UNI-f51e3bbc-3
0.475
EDG-MED-5d232de5-1
0.474
EDG-MED-5d232de5-2
0.474
EDJ-MED-ba7e64f2-2
0.474
ALP-POS-ce760d3f-7
0.474
ALP-POS-696356e4-1
0.474
PET-UNK-b38839dc-3
0.474