Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cc(=O)[nH]c3ccccc23)cc1 |
MW: | 566.23 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 108.3 |
cLogP: | 5.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.16239831294512 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-a2344586-2
1.000
ALP-POS-a2344586-3
0.800
ALP-POS-a2344586-1
0.745
ALP-POS-d0876c20-7
0.704
ALP-POS-d0876c20-9
0.682
ALP-POS-d0876c20-11
0.664
ALP-POS-d0876c20-1
0.649
ALP-POS-d0876c20-20
0.646
ALP-POS-d0876c20-17
0.645
ALP-POS-d0876c20-2
0.637
ALP-POS-d0876c20-8
0.628
ALP-POS-d0876c20-19
0.626
ALP-POS-d0876c20-5
0.624
ALP-POS-d0876c20-14
0.618
ALP-POS-d0876c20-18
0.615
ALP-POS-02c6a514-50
0.613
ALP-POS-d0876c20-21
0.613
ALP-POS-d0876c20-16
0.611
ALP-POS-d0876c20-10
0.607
ALP-POS-d0876c20-3
0.605
ALP-POS-d0876c20-15
0.600
ALP-POS-d0876c20-23
0.575
ALP-POS-d0876c20-24
0.571
ALP-POS-d0876c20-13
0.571
ALP-POS-d0876c20-12
0.571
ALP-UNI-fe744232-18
0.560
ALP-POS-d0876c20-6
0.551
ALP-POS-d0876c20-4
0.544
ALP-POS-d0876c20-22
0.542
ALP-POS-95f71980-36
0.533
ALP-POS-02c6a514-48
0.525
ALP-POS-ced8ea4d-27
0.521
ALP-POS-95f71980-37
0.516
ALP-POS-02c6a514-19
0.513
ALP-POS-95f71980-35
0.512
ALP-POS-95f71980-3
0.508
ALP-POS-ced8ea4d-16
0.508
ALP-POS-ced8ea4d-28
0.504
ALP-POS-ced8ea4d-67
0.504
ALP-UNI-fe744232-3
0.504
ALP-POS-ced8ea4d-9
0.500
ALP-UNI-fe744232-14
0.500
ALP-UNI-fe744232-9
0.496
ALP-POS-305f6ec3-39
0.496
ALP-POS-ced8ea4d-19
0.496
ALF-EVA-719172df-2
0.496
ALP-POS-95f71980-10
0.492
ALP-POS-02c6a514-32
0.488
ALP-UNI-fe744232-15
0.488
PAU-WEI-df8f33bc-1
0.488
ALP-POS-ced8ea4d-52
0.488
ALP-POS-ced8ea4d-5
0.488
ALP-POS-ced8ea4d-11
0.488
ALF-EVA-719172df-7
0.488
ALP-UNI-fe744232-1
0.484
ALP-UNI-fe744232-17
0.484
ALP-POS-ced8ea4d-51
0.484
ALP-POS-ced8ea4d-12
0.484
ALP-POS-305f6ec3-52
0.484
ALP-POS-305f6ec3-27
0.483
ALF-EVA-46063d6e-2
0.483
ALP-POS-ced8ea4d-18
0.481
ALP-POS-95f71980-33
0.481
ALP-POS-02c6a514-31
0.480
ALP-POS-ced8ea4d-62
0.480
ALP-UNI-fe744232-12
0.480
ALP-POS-ced8ea4d-37
0.480
ALP-POS-305f6ec3-33
0.480
MAT-POS-f2460aef-3
0.479
ALP-POS-95f71980-17
0.479
MAT-POS-02ae579f-1
0.478
ALP-POS-95f71980-34
0.477
ALP-POS-95f71980-27
0.477
ALP-POS-95f71980-28
0.477
ALP-UNI-fe744232-30
0.476
ALP-UNI-fe744232-22
0.476
ALP-POS-ced8ea4d-49
0.476
ALF-EVA-719172df-5
0.476
ALP-POS-305f6ec3-59
0.475
ALP-UNI-fe744232-19
0.473
ALP-POS-ced8ea4d-17
0.473
ALP-POS-305f6ec3-12
0.472
ALF-EVA-719172df-1
0.472
ALP-POS-95f71980-20
0.472
PET-UNK-48ab5cd7-3
0.471
ALP-UNI-fe744232-25
0.469
ALP-POS-95f71980-31
0.468
ALP-POS-305f6ec3-28
0.468
ALF-EVA-719172df-3
0.468
ALP-POS-305f6ec3-57
0.468
ALP-POS-02c6a514-44
0.467
ALP-POS-305f6ec3-48
0.467
PAU-WEI-df8f33bc-2
0.467
ALP-POS-95f71980-25
0.467
ALP-POS-95f71980-15
0.466
ALP-POS-ced8ea4d-32
0.466
ALP-UNI-fe744232-11
0.465
ALP-POS-02c6a514-9
0.464
ALP-POS-305f6ec3-20
0.464
ALP-POS-02c6a514-13
0.464