Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCC)c1cccnc1 |
MW: | 365.477 |
Fraction sp3: | 0.32 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 3.7755 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 45.490007175617 |
IC50 (µM) - RapidFire: | 19.3910794055449 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Shipped: | 2020-05-13 |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-29
0.781
LON-WEI-adc59df6-3
0.768
LON-WEI-adc59df6-17
0.760
LON-WEI-adc59df6-26
0.760
LON-WEI-adc59df6-28
0.750
LON-WEI-adc59df6-2
0.747
LON-WEI-8f408cad-8
0.746
LON-WEI-adc59df6-27
0.740
LON-WEI-adc59df6-21
0.736
LON-WEI-adc59df6-31
0.733
LON-WEI-adc59df6-40
0.731
LON-WEI-adc59df6-10
0.731
LON-WEI-adc59df6-36
0.731
LON-WEI-adc59df6-20
0.713
LON-WEI-adc59df6-7
0.707
LON-WEI-adc59df6-44
0.707
LON-WEI-adc59df6-23
0.704
LON-WEI-adc59df6-22
0.695
LON-WEI-adc59df6-14
0.688
LON-POS-586a7c45-1
0.679
LON-WEI-adc59df6-32
0.679
LON-WEI-adc59df6-47
0.679
LON-WEI-adc59df6-19
0.679
PAU-WEI-5b8d5051-1
0.679
LON-WEI-adc59df6-41
0.675
LON-WEI-adc59df6-35
0.671
LON-WEI-adc59df6-42
0.671
LON-WEI-adc59df6-25
0.671
LON-WEI-d1c9908a-7
0.667
NIM-NMI-8bb27a2b-16
0.662
ALP-POS-88a7a97e-14
0.658
LON-WEI-d1c9908a-10
0.655
LON-WEI-adc59df6-8
0.654
NIM-NMI-8bb27a2b-24
0.650
NIM-NMI-8bb27a2b-19
0.650
LON-WEI-adc59df6-5
0.643
NIM-NMI-8bb27a2b-18
0.639
LON-WEI-adc59df6-39
0.639
NIM-NMI-8bb27a2b-23
0.639
LON-WEI-adc59df6-37
0.635
RAL-MED-9a5eb9cb-10
0.632
LON-WEI-adc59df6-1
0.631
LON-WEI-adc59df6-18
0.631
LON-WEI-adc59df6-46
0.631
ERI-UCB-fbdd3ea1-4
0.628
RAL-MED-9a5eb9cb-12
0.628
LON-WEI-adc59df6-91
0.617
LON-WEI-adc59df6-9
0.616
LON-WEI-adc59df6-12
0.616
LON-WEI-adc59df6-33
0.616
LON-WEI-adc59df6-34
0.616
LON-WEI-adc59df6-15
0.616
LON-WEI-d1c9908a-12
0.616
LON-WEI-adc59df6-16
0.609
LON-WEI-d1c9908a-9
0.609
LON-WEI-adc59df6-82
0.605
LON-WEI-b8d98729-35
0.605
LON-WEI-d1c9908a-3
0.602
NIM-NMI-8bb27a2b-20
0.600
LON-WEI-b8d98729-33
0.598
LON-WEI-adc59df6-6
0.596
LON-WEI-adc59df6-24
0.596
BRU-LEF-8bac3ce8-1
0.595
LON-WEI-adc59df6-4
0.589
LON-WEI-adc59df6-43
0.589
LON-WEI-adc59df6-45
0.589
LON-WEI-b8d98729-6
0.588
NIM-NMI-8bb27a2b-28
0.586
LON-WEI-adc59df6-13
0.585
RAL-MED-9a5eb9cb-9
0.578
LON-WEI-babf2c61-9
0.578
LON-WEI-adc59df6-11
0.576
LON-WEI-adc59df6-80
0.575
RIT-AID-af4ac3d4-1
0.575
NIM-NMI-8bb27a2b-17
0.573
LON-WEI-b8d98729-7
0.568
LON-WEI-b8d98729-36
0.559
NIM-NMI-8bb27a2b-22
0.558
LON-WEI-b8d98729-27
0.557
NIM-NMI-8bb27a2b-27
0.554
LON-WEI-d1c9908a-1
0.554
LON-WEI-b8d98729-41
0.552
LON-WEI-b8d98729-39
0.549
ERI-UCB-fbdd3ea1-1
0.549
ERI-UCB-fbdd3ea1-2
0.549
LON-WEI-b8d98729-10
0.548
ALP-POS-88a7a97e-35
0.547
RAL-MED-9a5eb9cb-15
0.547
RAL-MED-9a5eb9cb-11
0.545
LON-WEI-adc59df6-38
0.545
NIM-NMI-8bb27a2b-25
0.544
ALP-POS-02c6a514-53
0.540
ALP-POS-02c6a514-54
0.540
RIT-AID-a497c99f-1
0.538
LON-WEI-adc59df6-95
0.535
LON-WEI-adc59df6-78
0.534
NIM-NMI-8bb27a2b-15
0.534
LON-WEI-adc59df6-73
0.529
ALP-POS-88a7a97e-1
0.529
ALP-POS-c59291d4-6
0.529