Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC)c1cccnc1 |
MW: | 351.45 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 62.3 |
cLogP: | 3.3854 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-480-267 |
Activity Data | |
IC50 (µM) - Fluorescence: | 35.7085529921464 |
IC50 (µM) - RapidFire: | 16.9787020147867 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Shipped: | 2020-05-13 |
Long aliphatic chain
AAR-POS-d2a4d1df-1
RAL-MED-9a5eb9cb-10
0.818
LON-WEI-8f408cad-8
0.791
LON-WEI-adc59df6-21
0.779
LON-WEI-adc59df6-30
0.768
LON-WEI-adc59df6-44
0.746
LON-WEI-adc59df6-31
0.726
LON-WEI-adc59df6-14
0.726
LON-WEI-adc59df6-29
0.726
LON-WEI-adc59df6-41
0.711
LON-WEI-adc59df6-42
0.707
LON-WEI-adc59df6-17
0.707
LON-WEI-adc59df6-26
0.707
LON-WEI-adc59df6-35
0.707
LON-WEI-d1c9908a-7
0.701
LON-WEI-adc59df6-28
0.697
LON-WEI-adc59df6-8
0.688
LON-WEI-adc59df6-27
0.688
LON-WEI-adc59df6-46
0.684
LON-WEI-adc59df6-10
0.679
LON-WEI-adc59df6-36
0.679
LON-WEI-adc59df6-40
0.679
LON-WEI-adc59df6-5
0.675
LON-WEI-adc59df6-39
0.671
LON-WEI-adc59df6-12
0.667
LON-WEI-adc59df6-37
0.667
LON-WEI-adc59df6-15
0.667
LON-WEI-adc59df6-18
0.662
LON-WEI-adc59df6-20
0.662
LON-WEI-adc59df6-1
0.662
RAL-MED-9a5eb9cb-12
0.662
ERI-UCB-fbdd3ea1-4
0.662
LON-WEI-adc59df6-23
0.654
LON-WEI-adc59df6-2
0.654
LON-WEI-adc59df6-9
0.646
LON-WEI-adc59df6-34
0.646
LON-WEI-d1c9908a-10
0.646
LON-WEI-adc59df6-22
0.646
LON-WEI-adc59df6-33
0.646
LON-WEI-adc59df6-24
0.643
LON-WEI-adc59df6-7
0.639
LON-WEI-adc59df6-16
0.639
LON-WEI-d1c9908a-9
0.639
LON-WEI-adc59df6-82
0.636
LON-WEI-adc59df6-4
0.635
LON-WEI-adc59df6-43
0.635
LON-POS-586a7c45-1
0.631
LON-WEI-adc59df6-32
0.631
LON-WEI-d1c9908a-3
0.631
LON-WEI-adc59df6-19
0.631
LON-WEI-adc59df6-47
0.631
PAU-WEI-5b8d5051-1
0.631
LON-WEI-adc59df6-91
0.628
LON-WEI-adc59df6-6
0.624
LON-WEI-adc59df6-25
0.624
LON-WEI-adc59df6-11
0.621
LON-WEI-adc59df6-45
0.616
RAL-MED-9a5eb9cb-9
0.608
LON-WEI-adc59df6-80
0.605
BRU-LEF-8bac3ce8-1
0.605
NIM-NMI-8bb27a2b-17
0.603
RIT-AID-af4ac3d4-1
0.602
NIM-NMI-8bb27a2b-24
0.600
NIM-NMI-8bb27a2b-19
0.600
LON-WEI-b8d98729-6
0.597
LON-WEI-b8d98729-7
0.597
RAL-MED-9a5eb9cb-11
0.597
LON-WEI-b8d98729-35
0.595
ALP-POS-88a7a97e-1
0.595
LON-WEI-adc59df6-13
0.593
NIM-NMI-8bb27a2b-16
0.593
NIM-NMI-8bb27a2b-23
0.590
LON-WEI-d1c9908a-12
0.588
LON-WEI-b8d98729-33
0.588
NIM-NMI-8bb27a2b-22
0.585
LON-WEI-b8d98729-27
0.583
LON-WEI-d1c9908a-1
0.582
LON-WEI-adc59df6-95
0.580
LON-WEI-b8d98729-41
0.578
LON-WEI-b8d98729-10
0.575
RAL-MED-9a5eb9cb-15
0.573
NIM-NMI-8bb27a2b-18
0.571
NIM-NMI-8bb27a2b-25
0.570
LON-WEI-adc59df6-38
0.568
RIT-AID-a497c99f-1
0.568
NIM-NMI-8bb27a2b-15
0.560
LON-WEI-adc59df6-87
0.553
NIM-NMI-8bb27a2b-20
0.553
NIM-NMI-8bb27a2b-26
0.551
NIM-NMI-8bb27a2b-21
0.545
JAN-GHE-d851b096-4
0.541
LON-WEI-adc59df6-78
0.541
NIM-NMI-8bb27a2b-28
0.540
ERI-UCB-fbdd3ea1-1
0.539
ERI-UCB-fbdd3ea1-2
0.539
LON-WEI-b8d98729-39
0.539
LON-WEI-adc59df6-60
0.537
BRU-LEF-973da26b-1
0.536
LON-WEI-babf2c61-9
0.533
LON-WEI-b8d98729-36
0.533
LON-WEI-b8d98729-37
0.527