Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCSC)c1cccnc1 |
MW: | 411.571 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 62.3 |
cLogP: | 4.1186 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-480-265 |
Activity Data | |
IC50 (µM) - Fluorescence: | 20.1619451628661 |
IC50 (µM) - RapidFire: | 65.4270230671027 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Shipped: | 2020-05-13 |
Aliphatic long chain
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-10
0.831
LON-WEI-adc59df6-29
0.766
LON-WEI-adc59df6-30
0.760
LON-WEI-adc59df6-26
0.747
LON-WEI-adc59df6-27
0.728
LON-WEI-adc59df6-3
0.707
LON-WEI-adc59df6-40
0.699
LON-WEI-adc59df6-28
0.695
LON-WEI-adc59df6-2
0.694
LON-WEI-8f408cad-8
0.688
LON-WEI-adc59df6-22
0.686
ALP-POS-88a7a97e-16
0.682
LON-WEI-adc59df6-21
0.679
LON-WEI-adc59df6-31
0.679
LON-WEI-adc59df6-36
0.679
LON-WEI-adc59df6-7
0.678
PAU-WEI-5b8d5051-1
0.670
LON-POS-586a7c45-1
0.670
LON-WEI-adc59df6-47
0.670
LON-WEI-adc59df6-25
0.663
LON-WEI-adc59df6-20
0.663
LON-WEI-adc59df6-23
0.655
LON-WEI-adc59df6-44
0.654
NIM-NMI-8bb27a2b-24
0.643
LON-WEI-adc59df6-14
0.639
NIM-NMI-8bb27a2b-16
0.635
LON-WEI-adc59df6-19
0.633
LON-WEI-adc59df6-32
0.633
LON-WEI-adc59df6-35
0.624
LON-WEI-adc59df6-42
0.624
LON-WEI-adc59df6-8
0.609
LON-WEI-adc59df6-41
0.609
LON-WEI-adc59df6-46
0.607
NIM-NMI-8bb27a2b-19
0.605
LON-WEI-d1c9908a-7
0.602
LON-WEI-adc59df6-39
0.596
NIM-NMI-8bb27a2b-23
0.596
LON-WEI-adc59df6-37
0.593
LON-WEI-adc59df6-33
0.593
LON-WEI-d1c9908a-10
0.593
LON-WEI-adc59df6-1
0.589
LON-WEI-adc59df6-18
0.589
RAL-MED-9a5eb9cb-10
0.585
LON-WEI-adc59df6-43
0.585
ERI-UCB-fbdd3ea1-4
0.583
RAL-MED-9a5eb9cb-12
0.583
LON-WEI-adc59df6-5
0.582
NIM-NMI-8bb27a2b-18
0.578
NIM-NMI-8bb27a2b-20
0.578
ALP-POS-88a7a97e-46
0.576
LON-WEI-adc59df6-15
0.576
LON-WEI-adc59df6-34
0.576
LON-WEI-adc59df6-9
0.576
LON-WEI-adc59df6-12
0.576
LON-WEI-adc59df6-91
0.575
LON-WEI-adc59df6-24
0.574
LON-WEI-babf2c61-9
0.574
LON-WEI-adc59df6-16
0.570
LON-WEI-d1c9908a-9
0.570
LON-WEI-adc59df6-4
0.568
LON-WEI-b8d98729-6
0.565
LON-WEI-d1c9908a-3
0.564
LON-WEI-adc59df6-82
0.563
ALP-POS-88a7a97e-35
0.562
LON-WEI-d1c9908a-12
0.559
LON-WEI-adc59df6-6
0.558
LON-WEI-adc59df6-45
0.552
NIM-NMI-8bb27a2b-27
0.552
LON-WEI-adc59df6-13
0.550
LON-WEI-b8d98729-35
0.548
NIM-NMI-8bb27a2b-28
0.548
LON-WEI-b8d98729-33
0.543
LON-WEI-adc59df6-11
0.541
ALP-POS-02c6a514-54
0.538
BRU-LEF-8bac3ce8-1
0.538
LON-WEI-adc59df6-80
0.535
NIM-NMI-8bb27a2b-17
0.534
LON-WEI-adc59df6-38
0.529
LON-WEI-b8d98729-7
0.529
ALP-POS-88a7a97e-22
0.527
ALP-POS-88a7a97e-14
0.522
RAL-MED-9a5eb9cb-9
0.522
NIM-NMI-8bb27a2b-22
0.522
RIT-AID-af4ac3d4-1
0.521
LON-WEI-d1c9908a-1
0.517
LON-WEI-b8d98729-41
0.516
LON-WEI-adc59df6-78
0.516
ALP-POS-88a7a97e-31
0.516
LON-WEI-b8d98729-10
0.511
RAL-MED-9a5eb9cb-15
0.511
ALP-POS-88a7a97e-3
0.510
LON-WEI-b8d98729-36
0.510
RAL-MED-9a5eb9cb-11
0.506
ALP-POS-02c6a514-53
0.505
LON-WEI-b8d98729-27
0.505
LON-WEI-b8d98729-39
0.500
LON-WEI-adc59df6-95
0.500
NIM-NMI-8bb27a2b-15
0.500
ERI-UCB-fbdd3ea1-2
0.500
ERI-UCB-fbdd3ea1-1
0.500