Molecular Properties | |
SMILES: | O=C(Nc1cc(=O)[nH]c2ccccc12)C1CCOc2ccc(Cl)cc21 |
MW: | 354.08 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.19 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 48.0181836737102 |
Order Status | |
Ordered: | 2020-09-29 |
Synthesis Location: | enamine |
Shipped: | 2020-10-21 |
NAU-LAT-b7d8c353-3
1.000
FRA-DIA-e29753f2-1
1.000
VLA-UCB-50c39ae8-11
1.000
BEN-DND-b89db3f2-1
1.000
JAG-UCB-c61058a9-45
1.000
JAG-UCB-c61058a9-46
0.678
JOH-UNI-f51e3bbc-1
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EDJ-MED-ba7e64f2-2
0.589
MAT-POS-b3e365b9-2
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MAT-POS-f7918075-1
0.578
MAT-POS-b3e365b9-1
0.578
VLA-UCB-1dbca3b4-15
0.578
JAG-UCB-52b62a6f-17
0.571
ADA-UCB-dc2b944c-11
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JOH-SUS-a69c159d-3
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RAL-THA-b00e3cbf-1
0.559
ADA-UCB-dc2b944c-12
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JOH-SUS-a69c159d-1
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JOH-SUS-a69c159d-2
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EDJ-MED-eff36d94-1
0.553
ALP-POS-ce760d3f-4
0.553
JOH-UNI-f51e3bbc-2
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VLA-UNK-0ffe3317-7
0.544
PET-UNK-158bee2a-5
0.544
VLA-UCB-53bdeed6-3
0.544
JOH-UNI-1b27fa5e-1
0.543
JOH-SUS-a69c159d-4
0.543
FRA-DIA-0fa076fe-3
0.539
EDJ-MED-ba7e64f2-3
0.537
JAG-UCB-52b62a6f-6
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EDJ-MED-fb4b7746-3
0.526
EDG-MED-0e5afe9d-2
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EDJ-MED-51d3200d-4
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ADA-UCB-b1b30a00-8
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BEN-DND-a7517465-7
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ADA-UCB-dc2b944c-9
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BEN-DND-b89db3f2-2
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NAU-LAT-b7d8c353-4
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MAT-POS-7ddaf7de-4
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MAT-POS-afb6844f-1
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FRA-DIA-0fa076fe-4
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VLA-UNK-0ffe3317-1
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LON-WEI-0a73fcb8-7
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EDJ-MED-e9694d2b-1
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ERI-UCB-9c7ec71b-2
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JOH-SUS-a69c159d-6
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VLA-UCB-50c39ae8-13
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JAG-UCB-52b62a6f-13
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ADA-UCB-dc2b944c-8
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JOH-UNI-1b27fa5e-2
0.510
VLA-UCB-05e51b3f-20
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BEN-DND-a7517465-11
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MAT-POS-b3e365b9-3
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JAN-GHE-f4ca5a00-13
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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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MAT-POS-afb6844f-2
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JOH-UNI-1b27fa5e-6
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PET-UNK-b38839dc-3
0.505
ADA-UCB-dc2b944c-10
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JOH-UNI-1b27fa5e-4
0.505
JOH-UNI-f51e3bbc-3
0.505
NAU-LAT-b7d8c353-8
0.505
MAK-UNK-8be7dca9-6
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MAT-POS-14f31916-5
0.500
MAT-POS-8293a91a-1
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MAT-POS-a2421bb6-4
0.500
NAU-LAT-b7d8c353-2
0.500
ALP-POS-b3e0acc5-2
0.500
JAG-UCB-c61058a9-22
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JOH-UNI-1b27fa5e-7
0.500
EDG-MED-0e5afe9d-1
0.500
EDJ-MED-fb4b7746-4
0.500
JAG-UCB-c61058a9-7
0.500
JOH-UNI-1b27fa5e-3
0.495
ALP-POS-bea7b391-1
0.495
EDJ-MED-51d3200d-3
0.495
MAT-POS-a2421bb6-1
0.495
PET-UNK-b1ef24dc-7
0.495
PET-UNK-b1ef24dc-8
0.495
ALP-POS-ce760d3f-2
0.495
MAT-POS-afb6844f-3
0.495
BEN-DND-4f474d93-1
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BEN-DND-4f474d93-3
0.495
MAK-UNK-f481d203-2
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MAK-UNK-919546f0-1
0.495
MAT-POS-1f3c8e6f-1
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MAK-UNK-f481d203-1
0.495
JOH-UNI-f51e3bbc-4
0.490
MAT-POS-d8472c4f-6
0.490
BEN-DND-a7517465-8
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MAT-POS-14f31916-1
0.490
BEN-DND-c852c98b-10
0.490
JOH-UNI-1b27fa5e-5
0.490
BEN-DND-4f474d93-2
0.490
BEN-DND-c852c98b-4
0.490
ALP-POS-696356e4-1
0.490
EDJ-MED-ba7e64f2-1
0.490
BEN-DND-c852c98b-8
0.490