Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1 |
MW: | 455.436 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 71.53 |
cLogP: | 5.008 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7605405576 |
Activity Data | |
IC50 (µM) - Fluorescence: | 45.9975512316832 |
IC50 (µM) - RapidFire: | 26.9472840576405 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Shipped: | 2020-04-09 |
AAR-POS-d2a4d1df-1
LON-WEI-d1c9908a-7
0.848
NIM-NMI-8bb27a2b-25
0.829
RIT-AID-af4ac3d4-1
0.827
RAL-MED-9a5eb9cb-4
0.807
BRU-LEF-973da26b-1
0.778
RAL-MED-9a5eb9cb-9
0.775
LON-WEI-b8d98729-12
0.762
RAL-MED-9a5eb9cb-5
0.761
LON-WEI-b8d98729-47
0.750
RAL-MED-9a5eb9cb-3
0.744
RAL-MED-9a5eb9cb-1
0.729
LON-WEI-d1c9908a-5
0.724
LON-WEI-b8d98729-37
0.711
RAL-MED-9a5eb9cb-10
0.709
NIM-NMI-8bb27a2b-26
0.700
LON-WEI-adc59df6-41
0.686
NIM-NMI-8bb27a2b-22
0.667
NIM-NMI-8bb27a2b-19
0.663
RAL-MED-9a5eb9cb-12
0.663
ERI-UCB-fbdd3ea1-4
0.663
LON-WEI-8f408cad-10
0.652
LON-WEI-adc59df6-12
0.648
BRU-LEF-8bac3ce8-1
0.648
NIM-NMI-8bb27a2b-17
0.647
NIM-NMI-8bb27a2b-24
0.644
LON-WEI-b8d98729-41
0.640
LON-WEI-b8d98729-35
0.637
LON-WEI-adc59df6-13
0.633
LON-WEI-b8d98729-33
0.630
LON-WEI-adc59df6-15
0.630
LON-WEI-adc59df6-37
0.630
BRU-LEF-e1854a6f-1
0.629
RAL-MED-9a5eb9cb-11
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NIM-NMI-8bb27a2b-21
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RAL-MED-9a5eb9cb-6
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RAL-MED-9a5eb9cb-15
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NIM-NMI-8bb27a2b-16
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ERI-UCB-fbdd3ea1-1
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ERI-UCB-fbdd3ea1-2
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NIM-NMI-8bb27a2b-18
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NIM-NMI-8bb27a2b-23
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LON-WEI-b8d98729-25
0.612
RAL-MED-9a5eb9cb-14
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NIM-NMI-8bb27a2b-15
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LON-WEI-b8d98729-22
0.602
LON-WEI-d1c9908a-3
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LON-WEI-adc59df6-46
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LON-WEI-adc59df6-45
0.588
LON-WEI-b8d98729-24
0.587
WIL-UNI-a125ac6f-1
0.584
LON-WEI-adc59df6-3
0.583
NIM-NMI-8bb27a2b-20
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LON-WEI-adc59df6-24
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RAL-MED-9a5eb9cb-18
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LON-WEI-adc59df6-18
0.574
LON-WEI-d1c9908a-11
0.574
NIM-NMI-8bb27a2b-28
0.568
LON-WEI-adc59df6-5
0.568
LON-WEI-d1c9908a-2
0.568
RAL-MED-9a5eb9cb-8
0.565
RAL-MED-9a5eb9cb-16
0.563
LON-WEI-adc59df6-21
0.563
LON-WEI-babf2c61-9
0.561
LON-WEI-adc59df6-30
0.557
LON-WEI-adc59df6-4
0.556
LON-WEI-adc59df6-43
0.556
LON-WEI-adc59df6-42
0.554
JAN-GHE-d851b096-4
0.553
LON-WEI-8f408cad-8
0.552
LON-WEI-adc59df6-11
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LON-WEI-adc59df6-44
0.544
LON-WEI-adc59df6-91
0.543
LON-WEI-b8d98729-28
0.540
NIM-NMI-8bb27a2b-27
0.540
LON-WEI-adc59df6-26
0.538
LON-WEI-adc59df6-31
0.533
LON-WEI-adc59df6-14
0.533
LON-WEI-adc59df6-9
0.531
LON-WEI-d1c9908a-12
0.531
LON-WEI-adc59df6-33
0.531
LON-WEI-b8d98729-40
0.530
LON-WEI-adc59df6-27
0.526
LON-WEI-adc59df6-16
0.525
LON-WEI-d1c9908a-9
0.525
LON-WEI-b8d98729-8
0.525
LON-WEI-adc59df6-35
0.521
RAL-MED-9a5eb9cb-17
0.521
RAL-MED-9a5eb9cb-2
0.521
LON-WEI-adc59df6-38
0.519
LON-WEI-adc59df6-82
0.516
LON-WEI-adc59df6-29
0.516
LON-WEI-adc59df6-34
0.515
LON-WEI-b8d98729-14
0.515
LON-WEI-b8d98729-11
0.515
LON-WEI-d1c9908a-10
0.515
LON-WEI-b8d98729-36
0.515
NIM-NMI-8bb27a2b-8
0.515
LON-WEI-d1c9908a-4
0.515
LON-WEI-adc59df6-8
0.510