Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccc(OC)cc1OC)c1cccnc1 |
MW: | 473.573 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 80.76 |
cLogP: | 5.2953 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 6.47440777057573 |
Order Status | |
Shipped: | 2020-05-13 |
AAR-POS-d2a4d1df-1
LON-WEI-d1c9908a-3
0.775
LON-WEI-adc59df6-18
0.750
LON-WEI-d1c9908a-7
0.689
LON-WEI-adc59df6-12
0.677
LON-WEI-b8d98729-37
0.667
LON-WEI-adc59df6-33
0.660
LON-WEI-adc59df6-42
0.656
LON-WEI-adc59df6-16
0.635
LON-WEI-adc59df6-26
0.620
LON-WEI-d1c9908a-9
0.619
LON-WEI-adc59df6-3
0.616
LON-WEI-adc59df6-44
0.611
LON-WEI-adc59df6-34
0.608
LON-WEI-adc59df6-9
0.608
LON-WEI-adc59df6-37
0.608
LON-WEI-b8d98729-40
0.606
RIT-AID-af4ac3d4-1
0.604
LON-WEI-8f408cad-8
0.602
LON-WEI-b8d98729-8
0.600
LON-WEI-b8d98729-28
0.600
LON-WEI-adc59df6-14
0.598
LON-WEI-adc59df6-21
0.596
LON-WEI-adc59df6-24
0.590
LON-WEI-adc59df6-27
0.589
LON-WEI-adc59df6-41
0.589
LON-WEI-adc59df6-30
0.589
LON-WEI-d1c9908a-4
0.588
LON-WEI-b8d98729-27
0.588
LON-WEI-adc59df6-46
0.588
LON-WEI-adc59df6-35
0.585
LON-WEI-adc59df6-5
0.582
LON-WEI-adc59df6-15
0.576
LON-WEI-adc59df6-8
0.573
LON-WEI-adc59df6-1
0.571
LON-WEI-adc59df6-13
0.566
LON-WEI-adc59df6-29
0.564
LON-WEI-adc59df6-31
0.564
LON-WEI-adc59df6-39
0.561
LON-WEI-d1c9908a-10
0.560
LON-WEI-d1c9908a-12
0.560
LON-WEI-adc59df6-4
0.553
LON-WEI-adc59df6-43
0.553
LON-WEI-adc59df6-17
0.552
LON-WEI-b8d98729-41
0.551
LON-WEI-adc59df6-36
0.551
LON-WEI-b8d98729-30
0.548
LON-WEI-b8d98729-26
0.548
BRU-LEF-973da26b-1
0.546
LON-WEI-adc59df6-28
0.546
LON-WEI-adc59df6-6
0.544
LON-WEI-adc59df6-11
0.543
LON-WEI-adc59df6-20
0.540
LON-WEI-adc59df6-10
0.535
LON-WEI-adc59df6-40
0.535
LON-WEI-adc59df6-2
0.535
LON-WEI-adc59df6-19
0.534
LON-WEI-adc59df6-38
0.532
LON-WEI-b8d98729-47
0.530
NIM-NMI-8bb27a2b-25
0.529
LON-WEI-b8d98729-33
0.529
LON-WEI-b8d98729-36
0.528
BRU-LEF-8bac3ce8-1
0.525
LON-WEI-b8d98729-12
0.525
LON-WEI-adc59df6-7
0.524
LON-WEI-b8d98729-1
0.523
LON-WEI-b8d98729-19
0.520
LON-WEI-b8d98729-35
0.520
LON-WEI-adc59df6-23
0.520
PAU-WEI-5b8d5051-1
0.519
LON-WEI-adc59df6-47
0.519
LON-POS-586a7c45-1
0.519
LON-WEI-adc59df6-32
0.519
LON-WEI-b8d98729-43
0.519
RAL-MED-9a5eb9cb-10
0.516
RAL-MED-9a5eb9cb-12
0.516
ERI-UCB-fbdd3ea1-4
0.516
LON-WEI-d1c9908a-5
0.515
LON-WEI-adc59df6-22
0.515
RAL-MED-9a5eb9cb-9
0.510
NIM-NMI-8bb27a2b-22
0.510
NIM-NMI-8bb27a2b-17
0.505
NIM-NMI-8bb27a2b-19
0.505
LON-WEI-adc59df6-82
0.500
LON-WEI-adc59df6-25
0.500
LON-WEI-adc59df6-91
0.495
LON-WEI-adc59df6-58
0.495
NIM-NMI-8bb27a2b-26
0.486
NIM-NMI-8bb27a2b-23
0.485
LON-WEI-adc59df6-87
0.485
RAL-MED-9a5eb9cb-15
0.485
LON-WEI-b8d98729-10
0.485
NIM-NMI-8bb27a2b-21
0.481
ERI-UCB-fbdd3ea1-2
0.477
ERI-UCB-fbdd3ea1-1
0.477
LON-WEI-8f408cad-10
0.477
LON-WEI-b8d98729-39
0.477
LON-WEI-b8d98729-22
0.476
NIM-NMI-8bb27a2b-15
0.476
NIM-NMI-8bb27a2b-24
0.475
LON-WEI-adc59df6-80
0.474