Molecular Properties | |
SMILES: | O=C(Nc1n[nH]c2ccncc12)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: | 70.2526422607212 |
Order Status | |
Ordered: | 2020-09-29 |
Synthesis Location: | enamine |
Shipped: | 2020-12-21 |
VLA-UCB-1dbca3b4-15
JAG-UCB-52b62a6f-17
0.694
JAG-UCB-52b62a6f-18
0.670
JAG-UCB-52b62a6f-15
0.591
ALP-POS-ce760d3f-3
0.565
BEN-DND-4f474d93-2
0.565
VLA-UCB-53bdeed6-2
0.551
MAT-POS-b3e365b9-3
0.551
MAT-POS-b3e365b9-4
0.551
JAN-GHE-f4ca5a00-13
0.551
BRU-CON-c4e3408a-1
0.551
DAR-DIA-6a508060-6
0.551
ERI-UCB-9c7ec71b-2
0.538
EDJ-MED-e9694d2b-1
0.538
MAK-UNK-f481d203-1
0.538
MAK-UNK-919546f0-1
0.538
MAK-UNK-f481d203-2
0.538
LON-WEI-0a73fcb8-7
0.538
BEN-DND-4f474d93-1
0.538
BEN-DND-4f474d93-3
0.538
ALP-POS-ce760d3f-2
0.538
MAT-POS-500f4700-1
0.533
JAG-UCB-52b62a6f-6
0.527
VLA-UCB-53bdeed6-3
0.522
LON-WEI-0a73fcb8-6
0.522
VLA-UCB-05e51b3f-19
0.521
VLA-UCB-50c39ae8-12
0.521
JOH-UNI-1b27fa5e-2
0.521
EDG-MED-0e5afe9d-2
0.521
ADA-UCB-dc2b944c-8
0.521
EDJ-MED-fb4b7746-3
0.521
JAG-UCB-52b62a6f-14
0.520
RAL-THA-3d7a794f-4
0.511
PET-UNK-3e029fdc-1
0.511
RAL-THA-3d7a794f-1
0.511
ADA-UCB-b1b30a00-6
0.510
NAU-LAT-b7d8c353-2
0.510
RAL-THA-9041a04d-2
0.510
NAU-LAT-b7d8c353-5
0.510
NAU-LAT-8502cac5-12
0.505
EDJ-MED-51d3200d-3
0.505
PET-UNK-158bee2a-7
0.500
BEN-DND-a7517465-7
0.500
ROB-UNI-569bc02e-3
0.500
JAG-UCB-c61058a9-41
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JAG-UCB-52b62a6f-9
0.500
NAU-LAT-8502cac5-11
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RAL-THA-9041a04d-5
0.500
ROB-UNI-569bc02e-5
0.500
NAU-LAT-8502cac5-13
0.500
RAL-THA-3d7a794f-2
0.500
JAG-UCB-52b62a6f-4
0.495
MAT-POS-14f31916-5
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PET-UNK-7f7e354d-1
0.495
JAG-UCB-52b62a6f-7
0.495
JAG-UCB-c61058a9-9
0.495
MAT-POS-afb6844f-1
0.495
MAT-POS-7ddaf7de-4
0.495
BEN-DND-b89db3f2-2
0.495
NAU-LAT-b7d8c353-4
0.495
JOH-UNI-1b27fa5e-3
0.490
ALF-EVA-5b152d2f-2
0.490
RAL-THA-9041a04d-4
0.490
MAT-POS-a54ce14d-1
0.490
JOH-SUS-a69c159d-4
0.490
PET-UNK-b1ef24dc-7
0.490
ROB-UNI-569bc02e-6
0.490
MAT-POS-b3e365b9-2
0.490
PET-UNK-b1ef24dc-8
0.490
VLA-UCB-1dbca3b4-15
0.490
MAT-POS-b3e365b9-1
0.490
MAT-POS-f7918075-1
0.490
MAT-POS-a2421bb6-1
0.490
PET-UNK-158bee2a-5
0.489
VLA-UNK-0ffe3317-7
0.489
NAU-LAT-b7d8c353-1
0.489
JAG-UCB-c61058a9-6
0.489
MAT-POS-a3f7f96a-2
0.489
MAK-UNK-8be7dca9-6
0.485
NAU-LAT-b7d8c353-8
0.485
JAG-UCB-52b62a6f-8
0.485
JAG-UCB-52b62a6f-12
0.485
EDJ-MED-ba7e64f2-1
0.485
EDJ-MED-ba7e64f2-2
0.485
EDG-MED-5d232de5-2
0.485
RAL-THA-9041a04d-6
0.485
PET-UNK-b38839dc-3
0.485
EDG-MED-5d232de5-1
0.485
ADA-UCB-dc2b944c-12
0.485
JOH-UNI-f51e3bbc-1
0.485
JOH-SUS-a69c159d-1
0.485
JOH-SUS-a69c159d-2
0.485
BEN-DND-c852c98b-4
0.485
ALP-POS-ce760d3f-7
0.485
ALP-POS-696356e4-1
0.485
MAT-POS-afb6844f-2
0.484
RAL-THA-3d7a794f-3
0.484
EDJ-MED-51d3200d-4
0.484
JOH-UNI-1b27fa5e-6
0.484
MIC-UNK-42806bd5-4
0.483
EDJ-MED-fb4b7746-4
0.480