Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1c(C)cccc1CC)c1cccnc1 |
MW: | 467.491 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 62.3 |
cLogP: | 5.87022000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2530860716 |
Activity Data | |
IC50 (µM) - Fluorescence: | 97.7888349071212 |
Order Status | |
Shipped: | 2020-04-09 |
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-1
1.000
ERI-UCB-fbdd3ea1-2
1.000
LON-WEI-d1c9908a-10
0.855
NIM-NMI-8bb27a2b-22
0.817
ERI-UCB-fbdd3ea1-3
0.779
LON-WEI-b8d98729-29
0.773
NIM-NMI-8bb27a2b-21
0.761
LON-WEI-b8d98729-2
0.761
LON-WEI-b8d98729-45
0.736
LON-WEI-d1c9908a-8
0.736
LON-WEI-b8d98729-18
0.696
LON-WEI-b8d98729-42
0.681
RAL-MED-9a5eb9cb-10
0.655
RAL-MED-9a5eb9cb-9
0.640
ERI-UCB-fbdd3ea1-4
0.632
RAL-MED-9a5eb9cb-12
0.632
LON-WEI-b8d98729-48
0.627
NIM-NMI-8bb27a2b-16
0.626
NIM-NMI-8bb27a2b-18
0.624
BRU-LEF-8bac3ce8-1
0.620
NIM-NMI-8bb27a2b-17
0.618
LON-WEI-b8d98729-27
0.617
NIM-NMI-8bb27a2b-24
0.615
NIM-NMI-8bb27a2b-19
0.615
LON-WEI-b8d98729-41
0.613
LON-WEI-b8d98729-37
0.612
LON-WEI-b8d98729-46
0.612
LON-WEI-b8d98729-20
0.600
RAL-MED-9a5eb9cb-15
0.591
NIM-NMI-8bb27a2b-23
0.589
NIM-NMI-8bb27a2b-25
0.588
NIM-NMI-8bb27a2b-15
0.579
RAL-MED-9a5eb9cb-11
0.576
NIM-NMI-8bb27a2b-20
0.573
DAR-DIA-2b784ede-42
0.571
LON-WEI-adc59df6-15
0.571
LON-WEI-babf2c61-9
0.570
NIM-NMI-8bb27a2b-26
0.570
NIM-NMI-8bb27a2b-28
0.561
DAR-DIA-2b784ede-9
0.550
LON-WEI-adc59df6-30
0.549
NIM-NMI-8bb27a2b-27
0.549
LON-WEI-adc59df6-31
0.543
LON-WEI-adc59df6-3
0.539
LON-WEI-b8d98729-36
0.538
LON-WEI-adc59df6-21
0.538
LON-WEI-adc59df6-91
0.537
LON-WEI-adc59df6-41
0.536
LON-WEI-adc59df6-46
0.535
LON-WEI-d1c9908a-9
0.535
LON-WEI-adc59df6-16
0.535
DAR-DIA-2b784ede-10
0.534
LON-WEI-adc59df6-42
0.531
LON-WEI-b8d98729-35
0.530
LON-WEI-8f408cad-8
0.527
DAR-DIA-2b784ede-7
0.525
LON-WEI-d1c9908a-12
0.525
LON-WEI-b8d98729-33
0.525
LON-WEI-adc59df6-9
0.525
LON-WEI-adc59df6-44
0.521
RIT-AID-af4ac3d4-1
0.520
DAR-DIA-2b784ede-38
0.520
DAR-DIA-2b784ede-53
0.520
LON-WEI-d1c9908a-7
0.515
LON-WEI-adc59df6-5
0.515
DAR-DIA-2b784ede-11
0.515
LON-WEI-d1c9908a-3
0.515
LON-WEI-adc59df6-14
0.510
LON-WEI-adc59df6-29
0.510
LON-WEI-adc59df6-33
0.510
LON-WEI-adc59df6-12
0.510
LON-WEI-adc59df6-24
0.510
LON-WEI-adc59df6-18
0.505
DAR-DIA-2b784ede-48
0.505
DAR-DIA-2b784ede-16
0.505
LON-WEI-adc59df6-35
0.500
LON-WEI-adc59df6-2
0.500
LON-WEI-adc59df6-17
0.500
LON-WEI-adc59df6-26
0.500
LON-WEI-adc59df6-36
0.500
LON-WEI-adc59df6-80
0.500
DAR-DIA-2b784ede-45
0.495
RAL-MED-9a5eb9cb-4
0.495
LON-WEI-adc59df6-37
0.495
LON-WEI-adc59df6-34
0.495
LON-WEI-adc59df6-39
0.495
LON-WEI-adc59df6-28
0.495
LON-WEI-adc59df6-82
0.495
DAR-DIA-2b784ede-15
0.491
LON-WEI-adc59df6-4
0.491
LON-WEI-adc59df6-43
0.491
LON-WEI-adc59df6-7
0.490
LON-WEI-adc59df6-8
0.490
LON-WEI-adc59df6-27
0.490
RAL-MED-9a5eb9cb-5
0.486
DAR-DIA-2b784ede-39
0.486
PAU-WEI-5b8d5051-1
0.486
LON-WEI-adc59df6-47
0.486
LON-POS-586a7c45-1
0.486
LON-WEI-adc59df6-32
0.486