Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccc2c(c1)OCO2)c1cccnc1 |
MW: | 457.53 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 80.76 |
cLogP: | 5.0068 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 36.0680676361585 |
IC50 (µM) - RapidFire: | 62.0559625474901 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Shipped: | 2020-05-26 |
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-4
0.839
LON-WEI-adc59df6-46
0.692
LON-WEI-adc59df6-5
0.667
LON-WEI-adc59df6-15
0.660
LON-WEI-adc59df6-12
0.660
LON-WEI-adc59df6-41
0.659
LON-WEI-adc59df6-11
0.653
LON-WEI-d1c9908a-7
0.652
LON-WEI-adc59df6-24
0.639
LON-WEI-adc59df6-3
0.635
LON-WEI-adc59df6-37
0.625
LON-WEI-adc59df6-44
0.611
LON-WEI-8f408cad-8
0.602
LON-WEI-adc59df6-42
0.602
LON-WEI-adc59df6-14
0.598
LON-WEI-adc59df6-21
0.596
LON-WEI-adc59df6-30
0.589
LON-WEI-adc59df6-17
0.585
LON-WEI-adc59df6-35
0.585
LON-WEI-adc59df6-39
0.577
LON-WEI-adc59df6-33
0.576
LON-WEI-adc59df6-34
0.576
LON-WEI-d1c9908a-10
0.576
LON-WEI-adc59df6-38
0.574
LON-WEI-adc59df6-8
0.573
LON-WEI-adc59df6-18
0.571
RIT-AID-af4ac3d4-1
0.571
LON-WEI-adc59df6-16
0.570
LON-WEI-adc59df6-10
0.567
LON-WEI-adc59df6-13
0.566
LON-WEI-b8d98729-35
0.566
LON-WEI-d1c9908a-3
0.564
LON-WEI-adc59df6-29
0.564
LON-WEI-adc59df6-31
0.564
LON-WEI-b8d98729-33
0.560
LON-WEI-adc59df6-9
0.560
NIM-NMI-8bb27a2b-26
0.559
RAL-MED-9a5eb9cb-9
0.558
LON-WEI-b8d98729-27
0.556
LON-WEI-d1c9908a-9
0.554
LON-WEI-adc59df6-45
0.553
LON-WEI-adc59df6-26
0.552
JAN-GHE-d851b096-4
0.551
LON-WEI-adc59df6-36
0.551
LON-WEI-adc59df6-19
0.549
LON-WEI-adc59df6-47
0.549
PAU-WEI-5b8d5051-1
0.549
LON-POS-586a7c45-1
0.549
LON-WEI-adc59df6-28
0.546
NIM-NMI-8bb27a2b-25
0.545
LON-WEI-adc59df6-22
0.545
LON-WEI-adc59df6-27
0.541
BRU-LEF-8bac3ce8-1
0.541
LON-WEI-adc59df6-1
0.540
LON-WEI-adc59df6-40
0.535
LON-WEI-adc59df6-32
0.534
RAL-MED-9a5eb9cb-10
0.533
LON-WEI-adc59df6-25
0.529
LON-WEI-adc59df6-6
0.529
NIM-NMI-8bb27a2b-22
0.525
LON-WEI-adc59df6-20
0.525
LON-WEI-adc59df6-23
0.520
LON-WEI-adc59df6-2
0.520
LON-WEI-d1c9908a-6
0.519
ERI-UCB-fbdd3ea1-4
0.516
RAL-MED-9a5eb9cb-12
0.516
BRU-LEF-973da26b-1
0.515
LON-WEI-d1c9908a-12
0.515
LON-WEI-adc59df6-91
0.510
LON-WEI-b8d98729-12
0.510
LON-WEI-d1c9908a-11
0.510
LON-WEI-adc59df6-7
0.510
NIM-NMI-8bb27a2b-17
0.505
LON-WEI-b8d98729-24
0.505
LON-WEI-b8d98729-41
0.505
LON-WEI-d1c9908a-2
0.505
LON-WEI-b8d98729-47
0.500
LON-WEI-d1c9908a-5
0.500
LON-WEI-adc59df6-82
0.500
LON-WEI-b8d98729-17
0.500
NIM-NMI-8bb27a2b-21
0.495
LON-WEI-b8d98729-39
0.491
ERI-UCB-fbdd3ea1-2
0.491
ERI-UCB-fbdd3ea1-1
0.491
LON-WEI-b8d98729-22
0.490
NIM-NMI-8bb27a2b-23
0.485
RAL-MED-9a5eb9cb-15
0.485
LON-WEI-b8d98729-7
0.485
LON-WEI-b8d98729-37
0.481
ALP-POS-02c6a514-56
0.481
NIM-NMI-8bb27a2b-15
0.476
NIM-NMI-8bb27a2b-24
0.475
NIM-NMI-8bb27a2b-19
0.475
JAN-GHE-d851b096-9
0.475
LON-WEI-adc59df6-95
0.475
LON-WEI-d1c9908a-1
0.475
LON-WEI-adc59df6-80
0.474
LON-WEI-b8d98729-36
0.473
LON-WEI-babf2c61-9
0.472
NIM-NMI-8bb27a2b-16
0.471