Molecular Properties | |
SMILES: | Cc1ccn2cnnc2c1NC(=O)C1CCOc2ccc(Cl)cc21 |
MW: | 342.09 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 68.52 |
cLogP: | 3.2 |
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: | 2020-10-21 |
VLA-UCB-1dbca3b4-15
NAU-LAT-8502cac5-7
0.686
JAG-UCB-52b62a6f-2
0.663
EDJ-MED-97c1bf5c-4
0.638
RAL-THA-b74298ba-1
0.586
MAT-POS-a3f7f96a-2
0.580
RAL-THA-b74298ba-3
0.573
EDG-MED-fe7487f8-9
0.573
MAT-POS-b5c94171-1
0.567
EDG-MED-fe7487f8-8
0.560
JAG-UCB-119787ef-1
0.556
JAG-UCB-a3ef7265-20
0.556
MAT-POS-968e8d9c-1
0.556
JAG-UCB-c61058a9-21
0.556
RAL-THA-b74298ba-2
0.554
JOH-UNI-d0d90dc1-3
0.543
ERI-UCB-9c7ec71b-4
0.543
JAG-UCB-52b62a6f-1
0.542
PET-UNK-158bee2a-7
0.539
MAT-POS-51833a24-4
0.531
JAG-UCB-c61058a9-44
0.527
RAL-THA-b74298ba-4
0.526
ERI-UCB-a38d41be-1
0.526
JAG-UCB-c61058a9-32
0.526
JAG-UCB-52b62a6f-3
0.526
NAU-LAT-8502cac5-11
0.522
NAU-LAT-8502cac5-16
0.522
EDJ-MED-97c1bf5c-5
0.520
RAL-THA-3d7a794f-4
0.516
MAT-POS-8293a91a-1
0.516
MAT-UCB-70f7c0f7-6
0.515
RAL-THA-04c5403f-2
0.515
ADA-UCB-b1b30a00-7
0.510
ROB-UNI-569bc02e-1
0.510
EDJ-MED-97c1bf5c-3
0.510
MAT-POS-b3e365b9-3
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MAT-POS-b3e365b9-4
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BRU-CON-c4e3408a-1
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DAR-DIA-6a508060-6
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JAN-GHE-f4ca5a00-13
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JAG-UCB-c61058a9-2
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JOH-UNI-1b27fa5e-4
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EDJ-MED-51d3200d-1
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ADA-UCB-dc2b944c-10
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MAT-POS-afb6844f-1
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MIC-UNK-deda7a44-6
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TAT-ENA-0e28ea53-1
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NAU-LAT-8502cac5-10
0.500
MAT-POS-51833a24-5
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JOH-SUS-a69c159d-6
0.495
MAT-POS-1f3c8e6f-1
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JAN-GHE-f4ca5a00-22
0.495
JOH-UNI-16fcdf60-1
0.495
MIC-UNK-deda7a44-7
0.490
NAU-LAT-8502cac5-13
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RAL-THA-3d7a794f-3
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ROB-UNI-569bc02e-3
0.490
EDJ-MED-51d3200d-4
0.490
MAT-POS-500f4700-1
0.490
RAL-THA-3d7a794f-2
0.490
JAG-UCB-c61058a9-41
0.489
NAU-LAT-b7d8c353-7
0.489
NAU-LAT-8502cac5-15
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MAT-POS-51833a24-3
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MAT-POS-a2421bb6-4
0.485
RAL-THA-3d7a794f-1
0.484
JAG-UCB-c61058a9-22
0.484
MAT-POS-7ddaf7de-4
0.484
PET-UNK-3e029fdc-1
0.484
ROB-UNI-569bc02e-7
0.480
ROB-UNI-569bc02e-6
0.480
MAT-POS-51833a24-1
0.480
BEN-DND-02317c5c-3
0.480
JAG-UCB-52b62a6f-19
0.476
EDJ-MED-51d3200d-2
0.475
ADA-UCB-dc2b944c-9
0.475
MAT-POS-51833a24-2
0.475
JOH-SUS-a69c159d-7
0.475
ALP-POS-ce760d3f-3
0.475
JOH-UNI-1b27fa5e-5
0.475
BEN-DND-4f474d93-2
0.475
MAT-POS-afb6844f-2
0.474
VLA-UCB-53bdeed6-2
0.474
RAL-THA-9041a04d-7
0.471
PET-UNK-e274cad4-7
0.470
ADA-UCB-dc2b944c-11
0.470
JOH-UNI-1b27fa5e-7
0.469
BEN-DND-b89db3f2-2
0.468
NAU-LAT-b7d8c353-4
0.468
EDJ-MED-e18764cb-1
0.467
MAT-POS-af1eef35-1
0.467
ROB-UNI-569bc02e-4
0.466
MAT-POS-2bb0cf2b-2
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EDJ-MED-fb4b7746-1
0.466
JAG-UCB-52b62a6f-14
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LON-WEI-0a73fcb8-3
0.465
ALF-EVA-5b152d2f-2
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JOH-UNI-1b27fa5e-1
0.465
EDJ-MED-51d3200d-3
0.465
MAT-POS-afb6844f-3
0.465
NAU-LAT-8502cac5-12
0.464