Molecular Properties | |
SMILES: | Cc1c(N)cncc1NC(=O)C1CCOc2ccc(Cl)cc21 |
MW: | 317.09 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 77.24 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.3816932125992 |
Order Status | |
Shipped: | 2021-06-29 |
aniline
MAT-POS-afb6844f-1
0.737
MAT-POS-afb6844f-3
0.722
MAT-POS-afb6844f-2
0.718
MAT-POS-afb6844f-4
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MAT-POS-afb6844f-5
0.683
MAT-POS-b3e365b9-3
0.658
MAT-POS-b3e365b9-4
0.658
DAR-DIA-6a508060-6
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JAN-GHE-f4ca5a00-13
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BRU-CON-c4e3408a-1
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BEN-DND-a7517465-11
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MAT-POS-1f3c8e6f-1
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MAK-UNK-919546f0-1
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MAK-UNK-f481d203-2
0.622
MAK-UNK-f481d203-1
0.622
BEN-DND-4f474d93-3
0.619
ALP-POS-ce760d3f-2
0.619
PET-UNK-b1ef24dc-7
0.619
BEN-DND-4f474d93-1
0.619
MAT-POS-a2421bb6-1
0.619
EDG-MED-0e5afe9d-2
0.616
EDJ-MED-fb4b7746-3
0.616
ALF-EVA-5b152d2f-2
0.616
EDJ-MED-51d3200d-4
0.614
EDJ-MED-ba7e64f2-1
0.612
BEN-DND-c852c98b-4
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MAT-POS-8293a91a-1
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TAT-ENA-0e28ea53-1
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MAT-POS-d8472c4f-6
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MAT-POS-14f31916-1
0.609
BEN-DND-a7517465-1
0.609
ALP-POS-b3e0acc5-2
0.607
PET-UNK-e274cad4-7
0.605
MIC-UNK-b904ca85-2
0.605
EDJ-MED-e9694d2b-1
0.602
LON-WEI-0a73fcb8-7
0.602
ERI-UCB-9c7ec71b-2
0.602
MAT-POS-14f31916-4
0.602
MAT-POS-b3e365b9-1
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MAT-POS-b3e365b9-2
0.600
PET-UNK-b1ef24dc-8
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MAT-POS-f7918075-1
0.600
PET-UNK-158bee2a-7
0.600
MIC-UNK-7574fcc6-2
0.600
PET-UNK-b1ef24dc-5
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VLA-UCB-1dbca3b4-15
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EDJ-MED-fb4b7746-2
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BEN-DND-a7517465-10
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EDG-MED-5d232de5-2
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PET-UNK-b38839dc-3
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ALP-POS-ce760d3f-7
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BEN-DND-4f474d93-2
0.593
BEN-DND-c852c98b-8
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ALP-POS-696356e4-1
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ALP-POS-ce760d3f-3
0.593
EDG-MED-5d232de5-1
0.593
RAL-THA-3d7a794f-4
0.593
PET-UNK-e274cad4-2
0.591
MAK-UNK-8be7dca9-7
0.591
MAT-POS-a2421bb6-2
0.591
BEN-DND-a7517465-2
0.586
MAT-POS-14f31916-5
0.586
PET-UNK-b1ef24dc-6
0.586
BEN-DND-a7517465-3
0.586
BEN-DND-a7517465-5
0.586
PET-UNK-7f7e354d-1
0.586
BEN-DND-c852c98b-5
0.584
MAT-POS-14f31916-2
0.584
BEN-DND-c852c98b-3
0.584
MAT-POS-f9802937-7
0.584
PET-UNK-ee8352fa-4
0.584
ERI-UCB-8d4e5055-4
0.584
MAT-POS-acfe5bae-5
0.584
MAT-POS-14f31916-3
0.582
EDG-MED-0e5afe9d-1
0.582
PET-UNK-b38839dc-5
0.582
PET-UNK-f4e47ebd-4
0.582
EDJ-MED-fb4b7746-4
0.582
EDJ-MED-51d3200d-3
0.581
MAK-UNK-8be7dca9-9
0.580
ADA-UCB-dc2b944c-8
0.580
PET-UNK-03fd2068-1
0.580
PET-UNK-6314f867-1
0.578
MAK-UNK-8be7dca9-5
0.578
EDJ-MED-fb4b7746-1
0.578
ALF-EVA-ced740bd-1
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MAT-POS-2bb0cf2b-2
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MAT-POS-a2421bb6-3
0.578
MAT-POS-7ddaf7de-2
0.578
ERI-UCB-8d4e5055-3
0.578
MIC-UNK-b904ca85-4
0.578
RUB-POS-1325a9ea-10
0.578
ADA-UCB-dc2b944c-12
0.575
JOH-SUS-a69c159d-1
0.575
JOH-UNI-1b27fa5e-5
0.575
EDJ-MED-51d3200d-1
0.573
BEN-DND-c852c98b-10
0.573
BEN-DND-a7517465-8
0.573
WIL-UCB-7ba4ac3a-1
0.573
NAU-LAT-b7d8c353-8
0.571