Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCCc1cccc(F)c1)c1cncc(O)c1 |
MW: | 466.2 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 108.56 |
cLogP: | 3.83 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2020-06-15 |
Synthesis Location: | enamine |
Shipped: | 2020-08-05 |
Long aliphatic chain
LON-WEI-babf2c61-13
0.831
LON-WEI-babf2c61-11
0.804
LON-WEI-babf2c61-14
0.771
LON-WEI-babf2c61-10
0.753
LON-WEI-babf2c61-4
0.677
LON-WEI-babf2c61-8
0.646
LON-WEI-babf2c61-2
0.569
ALP-POS-95f71980-16
0.545
LON-WEI-babf2c61-1
0.538
LON-WEI-babf2c61-6
0.533
ERI-UCB-fbdd3ea1-9
0.525
NIM-NMI-8bb27a2b-4
0.525
NIM-NMI-8bb27a2b-2
0.520
LON-WEI-babf2c61-3
0.518
PAU-WEI-5b8d5051-1
0.509
LON-POS-586a7c45-1
0.509
LON-WEI-adc59df6-47
0.509
LON-WEI-babf2c61-5
0.505
NIM-NMI-8bb27a2b-14
0.500
NIM-NMI-8bb27a2b-10
0.500
NIM-NMI-8bb27a2b-11
0.495
ERI-UCB-fbdd3ea1-10
0.491
LON-WEI-babf2c61-7
0.487
NIM-NMI-8bb27a2b-12
0.481
NIM-NMI-8bb27a2b-5
0.481
LON-WEI-b8d98729-23
0.480
NIM-NMI-8bb27a2b-13
0.477
LON-WEI-babf2c61-9
0.477
NIM-NMI-8bb27a2b-6
0.476
ERI-UCB-fbdd3ea1-26
0.474
ERI-UCB-fbdd3ea1-24
0.474
NIM-NMI-8bb27a2b-3
0.466
LON-WEI-b8d98729-15
0.464
LON-WEI-b8d98729-46
0.459
ERI-UCB-fbdd3ea1-7
0.453
ALP-POS-305f6ec3-44
0.447
ALP-POS-95f71980-21
0.446
LON-WEI-2e27a2e5-2
0.445
ERI-UCB-fbdd3ea1-6
0.444
PET-UNK-48ab5cd7-4
0.443
NIM-NMI-8bb27a2b-8
0.439
NIM-NMI-8bb27a2b-1
0.436
ERI-UCB-fbdd3ea1-5
0.436
ALP-POS-95f71980-14
0.436
NIM-NMI-8bb27a2b-7
0.434
MAT-POS-f2460aef-1
0.434
LON-WEI-2e27a2e5-1
0.434
MAT-POS-f2460aef-2
0.434
ALP-POS-95f71980-25
0.431
DAR-DIA-2b784ede-54
0.431
ALP-POS-02c6a514-11
0.429
PAU-WEI-5b8d5051-2
0.429
ALP-POS-95f71980-4
0.426
NIM-NMI-8bb27a2b-9
0.426
ERI-UCB-fbdd3ea1-8
0.425
ALP-POS-02c6a514-26
0.421
ERI-UCB-fbdd3ea1-29
0.419
ALP-POS-b0bc6a46-12
0.419
MAT-POS-f2460aef-5
0.419
ALP-POS-02c6a514-20
0.419
ALP-POS-02c6a514-25
0.419
PET-UNK-48ab5cd7-1
0.419
ERI-UCB-fbdd3ea1-28
0.419
MIC-UNK-96659df2-7
0.418
ALP-POS-95f71980-12
0.418
DAR-DIA-2b784ede-31
0.417
PET-UNK-7d68125a-3
0.417
ALP-POS-d0876c20-17
0.417
PET-UNK-7d68125a-2
0.417
LON-WEI-b8d98729-43
0.417
ALP-POS-95f71980-18
0.417
ALP-POS-95f71980-23
0.415
DAR-DIA-48c639f7-15
0.415
ALP-POS-95f71980-6
0.415
ALP-POS-305f6ec3-49
0.414
ALP-POS-02c6a514-12
0.414
JOE-NOR-4e4adc6b-1
0.414
ERI-UCB-fbdd3ea1-25
0.413
ALP-POS-95f71980-20
0.413
MIC-UNK-96659df2-8
0.413
ALP-POS-305f6ec3-40
0.412
ERI-UCB-fbdd3ea1-27
0.411
MIC-UNK-96659df2-6
0.409
DAR-DIA-2b784ede-35
0.409
PET-UNK-7d68125a-4
0.409
PET-UNK-48ab5cd7-6
0.408
KHR-WEI-75c61062-2
0.407
ALP-POS-02c6a514-49
0.407
ALP-POS-02c6a514-50
0.407
ALP-POS-305f6ec3-6
0.407
ALP-UNI-c3ef0aba-3
0.407
ALP-POS-95f71980-24
0.407
MAT-POS-f2460aef-4
0.407
ALP-POS-95f71980-17
0.405
MAT-POS-c0143b99-1
0.405
ALP-POS-95f71980-2
0.405
ALP-POS-02c6a514-17
0.405
DAR-DIA-48c639f7-16
0.405
KHR-WEI-75c61062-1
0.404
ALF-EVA-719172df-6
0.404