Molecular Properties | |
SMILES: | Cc1nc2ccc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc2o1 |
MW: | 499.17 |
Fraction sp3: | 0.15 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 114.36 |
cLogP: | 4.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
BRU-THA-92256091-67
0.794
ALP-POS-e980f4ea-21
0.734
ALP-POS-ced8ea4d-27
0.721
ALP-POS-ced8ea4d-28
0.702
ALP-POS-ced8ea4d-19
0.685
ALP-POS-02c6a514-50
0.682
ALP-POS-ced8ea4d-18
0.681
ALP-POS-ced8ea4d-44
0.679
ALP-POS-ced8ea4d-9
0.676
ALP-POS-ced8ea4d-20
0.675
ALP-POS-ced8ea4d-24
0.675
ALP-POS-ced8ea4d-53
0.675
ALP-POS-ced8ea4d-5
0.673
ALP-POS-ced8ea4d-65
0.672
ALP-UNI-fe744232-18
0.670
ALP-POS-ced8ea4d-10
0.667
ALP-UNI-fe744232-9
0.667
ALP-POS-ced8ea4d-37
0.664
ALP-POS-ced8ea4d-67
0.664
ALP-UNI-fe744232-3
0.664
ALP-POS-ced8ea4d-38
0.661
ALP-POS-95f71980-37
0.661
ALP-POS-ced8ea4d-49
0.658
ALP-POS-ced8ea4d-52
0.658
ALP-POS-ced8ea4d-11
0.658
ALP-POS-ced8ea4d-39
0.658
ALP-UNI-fe744232-14
0.658
ALP-POS-ced8ea4d-8
0.655
ALP-POS-ced8ea4d-36
0.655
ALP-POS-ced8ea4d-12
0.652
ALP-POS-ced8ea4d-51
0.652
ALP-POS-95f71980-36
0.652
ALP-POS-ced8ea4d-47
0.650
ALP-UNI-fe744232-1
0.649
ALP-POS-95f71980-3
0.649
ALP-POS-95f71980-32
0.647
ALP-POS-ced8ea4d-62
0.646
ALP-UNI-fe744232-12
0.646
ALP-POS-ced8ea4d-59
0.643
ALP-POS-ced8ea4d-1
0.642
ALP-UNI-fe744232-15
0.640
ALP-UNI-fe744232-22
0.640
ALP-UNI-fe744232-30
0.640
ALP-POS-ced8ea4d-63
0.637
ALP-POS-ced8ea4d-50
0.636
ALP-POS-ced8ea4d-16
0.635
ALP-UNI-fe744232-17
0.635
ALP-POS-ced8ea4d-25
0.628
ALP-UNI-fe744232-25
0.627
ALP-POS-95f71980-33
0.627
ALP-POS-95f71980-14
0.625
ALP-UNI-fe744232-11
0.624
ALP-POS-95f71980-28
0.622
BRU-THA-92256091-68
0.622
ALP-POS-95f71980-9
0.622
ALP-POS-95f71980-41
0.621
ALP-UNI-fe744232-19
0.619
ALP-POS-ced8ea4d-17
0.619
ALP-POS-95f71980-26
0.619
ALP-POS-ced8ea4d-15
0.617
ALP-POS-95f71980-16
0.614
ALP-POS-95f71980-10
0.613
ALP-POS-95f71980-35
0.608
ALP-UNI-fe744232-13
0.608
ALP-POS-95f71980-27
0.608
ALP-POS-95f71980-34
0.608
ALP-POS-ced8ea4d-30
0.608
ALP-POS-95f71980-5
0.603
ALP-POS-95f71980-38
0.602
ALP-POS-95f71980-13
0.600
ALP-POS-95f71980-12
0.598
ALP-POS-95f71980-20
0.595
ALP-POS-95f71980-1
0.595
ALP-POS-ced8ea4d-32
0.593
ALP-POS-95f71980-15
0.593
ALP-POS-ced8ea4d-7
0.591
ALP-POS-95f71980-31
0.590
ALP-POS-95f71980-39
0.590
ALP-POS-95f71980-40
0.588
ALP-POS-ced8ea4d-34
0.583
ALP-POS-95f71980-8
0.579
ALP-POS-ced8ea4d-35
0.566
ALP-POS-ced8ea4d-64
0.561
ALP-POS-ced8ea4d-54
0.560
BRU-THA-92256091-62
0.554
ALP-POS-d0876c20-17
0.553
ALP-POS-ced8ea4d-41
0.551
ALP-POS-d0876c20-5
0.548
BRU-THA-92256091-24
0.548
ALP-POS-95f71980-30
0.548
ALP-POS-ced8ea4d-58
0.545
ALP-POS-ced8ea4d-13
0.538
ALP-POS-ced8ea4d-22
0.538
BRU-THA-92256091-54
0.536
ALP-POS-02c6a514-12
0.534
ALP-POS-d0876c20-1
0.533
BRU-THA-92256091-64
0.532
ALP-POS-ced8ea4d-43
0.532
BRU-THA-92256091-65
0.532
BRU-THA-92256091-63
0.532