Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCCC(=O)OCC)c1cccnc1 |
MW: | 451.567 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 88.6 |
cLogP: | 4.0989 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
Average Inhibition @ 20 µM - Fluorescence: | 6.157995 |
Average Inhibition @ 50 µM - Fluorescence: | 30.89273 |
Average Inhibition @ 50 µM - RapidFire: | 14.6089723614061 |
Relative Solubility @ 20 µM: | 0.99 |
Relative Solubility @ 100 µM: | 0.96 |
Order Status | |
Shipped: | 2020-05-13 |
Aliphatic long chain
Carboxylic acid esters
aliphatic ester, not lactones
Ester
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-2
0.831
LON-WEI-adc59df6-27
0.741
LON-WEI-adc59df6-10
0.713
LON-WEI-adc59df6-30
0.707
LON-WEI-adc59df6-26
0.698
LON-WEI-adc59df6-29
0.694
LON-WEI-adc59df6-17
0.678
NIM-NMI-8bb27a2b-16
0.652
NIM-NMI-8bb27a2b-18
0.648
LON-WEI-adc59df6-3
0.639
LON-WEI-adc59df6-28
0.633
LON-WEI-adc59df6-22
0.628
LON-WEI-8f408cad-8
0.624
LON-WEI-adc59df6-36
0.620
LON-WEI-adc59df6-40
0.620
LON-WEI-adc59df6-31
0.618
LON-WEI-adc59df6-21
0.616
LON-WEI-adc59df6-47
0.615
PAU-WEI-5b8d5051-1
0.615
LON-WEI-adc59df6-25
0.608
LON-WEI-adc59df6-20
0.606
LON-WEI-adc59df6-23
0.600
LON-WEI-adc59df6-44
0.596
NIM-NMI-8bb27a2b-19
0.587
NIM-NMI-8bb27a2b-24
0.587
LON-WEI-adc59df6-14
0.582
LON-WEI-adc59df6-32
0.582
LON-WEI-adc59df6-19
0.582
NIM-NMI-8bb27a2b-23
0.579
LON-WEI-d1c9908a-10
0.577
LON-WEI-adc59df6-35
0.570
LON-WEI-adc59df6-42
0.570
LON-WEI-d1c9908a-7
0.568
LON-WEI-adc59df6-37
0.561
LON-WEI-adc59df6-8
0.558
LON-WEI-adc59df6-41
0.558
LON-WEI-adc59df6-46
0.557
LON-WEI-adc59df6-1
0.557
LON-WEI-adc59df6-18
0.557
LON-WEI-d1c9908a-3
0.550
LON-WEI-adc59df6-39
0.546
LON-WEI-adc59df6-9
0.545
LON-WEI-adc59df6-12
0.545
LON-WEI-adc59df6-34
0.545
LON-WEI-adc59df6-16
0.540
LON-WEI-d1c9908a-9
0.540
LON-WEI-adc59df6-5
0.535
RAL-MED-9a5eb9cb-10
0.533
RAL-MED-9a5eb9cb-12
0.533
ERI-UCB-fbdd3ea1-4
0.533
LON-WEI-b8d98729-10
0.532
LON-WEI-adc59df6-15
0.530
LON-WEI-adc59df6-33
0.530
LON-WEI-adc59df6-6
0.529
LON-WEI-babf2c61-9
0.529
LON-WEI-adc59df6-24
0.529
LON-WEI-adc59df6-91
0.526
LON-WEI-adc59df6-45
0.524
LON-WEI-adc59df6-82
0.516
NIM-NMI-8bb27a2b-20
0.515
LON-WEI-d1c9908a-12
0.515
ALP-POS-02c6a514-54
0.510
LON-WEI-adc59df6-4
0.510
LON-WEI-adc59df6-43
0.510
LON-WEI-adc59df6-13
0.509
LON-WEI-b8d98729-35
0.505
NIM-NMI-8bb27a2b-28
0.505
LON-WEI-b8d98729-33
0.500
LON-WEI-adc59df6-11
0.500
NIM-NMI-8bb27a2b-2
0.500
NIM-NMI-8bb27a2b-27
0.495
RIT-AID-af4ac3d4-1
0.495
ALP-POS-02c6a514-53
0.495
BRU-LEF-8bac3ce8-1
0.495
NIM-NMI-8bb27a2b-22
0.495
LON-WEI-adc59df6-38
0.491
LON-WEI-b8d98729-39
0.490
ERI-UCB-fbdd3ea1-1
0.490
ERI-UCB-fbdd3ea1-2
0.490
NIM-NMI-8bb27a2b-12
0.490
NIM-NMI-8bb27a2b-17
0.490
LON-WEI-adc59df6-80
0.489
LON-WEI-b8d98729-36
0.486
NIM-NMI-8bb27a2b-25
0.485
LON-WEI-b8d98729-6
0.484
LON-WEI-b8d98729-7
0.484
LON-WEI-b8d98729-45
0.481
LON-WEI-b8d98729-27
0.480
RAL-MED-9a5eb9cb-9
0.480
RAL-MED-9a5eb9cb-11
0.478
LON-WEI-b8d98729-19
0.476
LON-WEI-b8d98729-41
0.475
LON-WEI-d1c9908a-1
0.474
ALP-POS-02c6a514-55
0.472
ALP-POS-02c6a514-57
0.471
LON-WEI-adc59df6-87
0.471
RAL-MED-9a5eb9cb-15
0.470
LON-WEI-adc59df6-73
0.469
ALP-POS-c59291d4-6
0.469
LON-WEI-2e27a2e5-1
0.467