Molecular Properties | |
SMILES: | COc1ccc2c(NC(=O)C3CCOc4ccc(Cl)cc43)noc2c1 |
MW: | 358.07 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 73.59 |
cLogP: | 3.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 61.502193910527 |
IC50 (µM) - RapidFire: | 53.4126868300955 |
Order Status | |
Ordered: | 2020-09-29 |
Synthesis Location: | enamine |
Shipped: | 2020-10-28 |
VLA-UCB-1dbca3b4-15
JAG-UCB-52b62a6f-12
0.579
JAG-UCB-52b62a6f-8
0.562
JAG-UCB-c61058a9-46
0.550
MAT-POS-f9802937-7
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VLA-UCB-53bdeed6-2
0.516
MAT-POS-51833a24-6
0.515
JOH-UNI-f51e3bbc-2
0.510
LON-WEI-0a73fcb8-6
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JOH-UNI-1b27fa5e-2
0.505
MAT-POS-500f4700-1
0.500
TAT-ENA-0e28ea53-1
0.495
JOH-UNI-1b27fa5e-3
0.490
RAL-THA-b00e3cbf-1
0.490
PET-UNK-b1ef24dc-7
0.490
NAU-LAT-8502cac5-12
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JOH-UNI-f51e3bbc-4
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ALF-EVA-ced740bd-2
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JAG-UCB-52b62a6f-18
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ADA-UCB-dc2b944c-12
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JOH-SUS-a69c159d-1
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NAU-LAT-8502cac5-13
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JAG-UCB-52b62a6f-17
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PET-UNK-158bee2a-7
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PET-UNK-f4e47ebd-4
0.481
PET-UNK-b38839dc-5
0.481
ADA-UCB-b1b30a00-6
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VLA-UNK-0ffe3317-1
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RAL-THA-b74298ba-1
0.479
EDJ-MED-c8e7a002-1
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NAU-LAT-8502cac5-10
0.479
RAL-THA-3d7a794f-4
0.479
EDJ-MED-97c1bf5c-3
0.476
JAG-UCB-52b62a6f-14
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RUB-POS-1325a9ea-10
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ALF-EVA-ced740bd-1
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JAG-UCB-c61058a9-32
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JAG-UCB-52b62a6f-16
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JAG-UCB-c61058a9-44
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MAT-POS-a3f7f96a-2
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JAG-UCB-c61058a9-6
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JOH-UNI-16fcdf60-1
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EDJ-MED-97c1bf5c-5
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PET-UNK-b38839dc-3
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JOH-UNI-1b27fa5e-6
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JAG-UCB-c61058a9-2
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MAT-POS-b3e365b9-4
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JAN-GHE-f4ca5a00-13
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NAU-LAT-8502cac5-16
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BRU-CON-c4e3408a-1
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DAR-DIA-6a508060-6
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RAL-THA-b74298ba-3
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EDG-MED-fe7487f8-9
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JAG-UCB-c61058a9-21
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MAT-POS-b3e365b9-3
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PET-UNK-f4e47ebd-3
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TET-ENA-1a76f195-1
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JAG-UCB-52b62a6f-6
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JAG-UCB-c61058a9-9
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MAT-POS-7ddaf7de-4
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MAT-POS-8293a91a-1
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MAT-POS-afb6844f-1
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JAG-UCB-c61058a9-7
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MAT-POS-b5c94171-1
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PET-UNK-b38839dc-4
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VLA-UCB-05e51b3f-19
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VLA-UCB-50c39ae8-12
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JOH-SUS-a69c159d-3
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BEN-DND-4f474d93-1
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BEN-DND-4f474d93-3
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ALP-POS-ce760d3f-2
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MAT-POS-1f3c8e6f-1
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VLA-UNK-0ffe3317-7
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MAK-UNK-919546f0-1
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MAK-UNK-f481d203-2
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JOH-UNI-d0d90dc1-3
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MAK-UNK-f481d203-1
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PET-UNK-158bee2a-5
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MAT-POS-1ecf5680-2
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BEN-DND-a7517465-6
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ADA-UCB-dc2b944c-10
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ADA-UCB-dc2b944c-9
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ALP-POS-79636100-2
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JAG-UCB-52b62a6f-9
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JOH-SUS-a69c159d-2
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JOH-UNI-1b27fa5e-5
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EDJ-MED-51d3200d-4
0.455
RAL-THA-3d7a794f-2
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RAL-THA-3d7a794f-3
0.455
RAL-THA-b74298ba-2
0.455
JAG-UCB-c61058a9-11
0.455
MAT-POS-afb6844f-2
0.455
ROB-UNI-569bc02e-3
0.455
MAT-POS-419aafdb-2
0.454
JAG-UCB-a3ef7265-20
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JAG-UCB-c61058a9-41
0.454
JAG-UCB-119787ef-1
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MAT-POS-968e8d9c-1
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NAU-LAT-b7d8c353-7
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NAU-LAT-8502cac5-15
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NAU-LAT-8502cac5-11
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