Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCOC)c1cccnc1 |
MW: | 395.503 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 71.53 |
cLogP: | 3.402 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 55.7779893422194 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Shipped: | 2020-05-13 |
Aliphatic long chain
Long aliphatic chain
AAR-POS-d2a4d1df-1
PAU-WEI-ca14c437-1
LON-WEI-adc59df6-27
0.842
LON-WEI-adc59df6-29
0.766
LON-WEI-adc59df6-30
0.760
LON-WEI-adc59df6-17
0.747
LON-WEI-adc59df6-10
0.720
LON-WEI-adc59df6-2
0.714
LON-WEI-adc59df6-3
0.707
LON-WEI-adc59df6-7
0.698
LON-WEI-adc59df6-28
0.695
LON-WEI-8f408cad-8
0.688
LON-WEI-adc59df6-22
0.686
LON-WEI-adc59df6-21
0.679
LON-WEI-adc59df6-40
0.679
LON-WEI-adc59df6-36
0.679
LON-WEI-adc59df6-44
0.675
ALP-POS-88a7a97e-31
0.674
LON-WEI-adc59df6-47
0.670
LON-POS-586a7c45-1
0.670
PAU-WEI-5b8d5051-1
0.670
LON-WEI-adc59df6-25
0.663
LON-WEI-adc59df6-20
0.663
LON-WEI-adc59df6-14
0.659
LON-WEI-adc59df6-31
0.659
LON-WEI-adc59df6-23
0.655
LON-WEI-adc59df6-1
0.644
LON-WEI-adc59df6-35
0.643
NIM-NMI-8bb27a2b-19
0.643
NIM-NMI-8bb27a2b-24
0.643
LON-WEI-d1c9908a-7
0.640
NIM-NMI-8bb27a2b-16
0.635
LON-WEI-adc59df6-19
0.633
LON-WEI-adc59df6-32
0.633
LON-WEI-adc59df6-37
0.629
LON-WEI-adc59df6-8
0.628
LON-WEI-adc59df6-18
0.625
LON-WEI-adc59df6-42
0.624
LON-WEI-adc59df6-45
0.620
NIM-NMI-8bb27a2b-23
0.614
LON-WEI-adc59df6-39
0.614
LON-WEI-adc59df6-12
0.611
LON-WEI-adc59df6-41
0.609
LON-WEI-adc59df6-6
0.609
LON-WEI-adc59df6-46
0.607
LON-WEI-adc59df6-5
0.600
LON-WEI-d1c9908a-3
0.598
NIM-NMI-8bb27a2b-18
0.596
LON-WEI-d1c9908a-10
0.593
LON-WEI-adc59df6-24
0.591
RAL-MED-9a5eb9cb-10
0.585
ERI-UCB-fbdd3ea1-4
0.583
RAL-MED-9a5eb9cb-12
0.583
LON-WEI-adc59df6-9
0.576
LON-WEI-adc59df6-33
0.576
LON-WEI-adc59df6-34
0.576
LON-WEI-adc59df6-15
0.576
ALP-POS-88a7a97e-3
0.576
LON-WEI-adc59df6-91
0.575
LON-WEI-babf2c61-9
0.574
LON-WEI-adc59df6-16
0.570
LON-WEI-d1c9908a-9
0.570
LON-WEI-adc59df6-82
0.563
NIM-NMI-8bb27a2b-20
0.560
RIT-AID-af4ac3d4-1
0.554
LON-WEI-adc59df6-4
0.552
LON-WEI-adc59df6-43
0.552
NIM-NMI-8bb27a2b-17
0.552
LON-WEI-adc59df6-13
0.550
NIM-NMI-8bb27a2b-28
0.548
LON-WEI-b8d98729-10
0.545
LON-WEI-d1c9908a-12
0.543
LON-WEI-adc59df6-11
0.541
BRU-LEF-8bac3ce8-1
0.538
LON-WEI-b8d98729-27
0.538
NIM-NMI-8bb27a2b-27
0.536
LON-WEI-adc59df6-80
0.535
LON-WEI-b8d98729-35
0.532
LON-WEI-adc59df6-38
0.529
LON-WEI-b8d98729-6
0.529
LON-WEI-b8d98729-7
0.529
RAL-MED-9a5eb9cb-15
0.527
ALP-POS-88a7a97e-35
0.527
LON-WEI-b8d98729-33
0.526
RAL-MED-9a5eb9cb-9
0.522
ALP-POS-02c6a514-54
0.522
NIM-NMI-8bb27a2b-22
0.522
LON-WEI-d1c9908a-1
0.517
NIM-NMI-8bb27a2b-15
0.516
LON-WEI-b8d98729-41
0.516
LON-WEI-adc59df6-87
0.511
ALP-POS-88a7a97e-22
0.511
ALP-POS-88a7a97e-33
0.511
NIM-NMI-8bb27a2b-25
0.510
ALP-POS-88a7a97e-29
0.510
DAR-DIA-9e4459de-30
0.508
RAL-MED-9a5eb9cb-11
0.506
ALP-POS-88a7a97e-14
0.505
ALP-POS-88a7a97e-16
0.505
LON-WEI-2e27a2e5-2
0.505
LON-WEI-b8d98729-37
0.505
LON-WEI-adc59df6-95
0.500