Molecular Properties | |
SMILES: | CC(C)(O)c1cccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)c1 |
MW: | 502.2 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 108.56 |
cLogP: | 4.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-UNI-fe744232-18
0.796
ALP-POS-02c6a514-50
0.776
ALP-POS-ced8ea4d-28
0.745
ALP-POS-95f71980-36
0.721
ALP-POS-95f71980-31
0.714
ALP-POS-ced8ea4d-27
0.713
ALP-POS-ced8ea4d-49
0.712
ALP-POS-ced8ea4d-59
0.710
ALP-POS-ced8ea4d-37
0.702
ALP-POS-ced8ea4d-67
0.702
ALP-POS-ced8ea4d-9
0.699
ALP-POS-ced8ea4d-20
0.697
ALP-POS-ced8ea4d-39
0.695
ALP-POS-ced8ea4d-19
0.692
ALP-POS-ced8ea4d-10
0.688
ALP-UNI-fe744232-3
0.686
ALP-POS-ced8ea4d-44
0.685
ALP-POS-ced8ea4d-50
0.685
ALP-POS-95f71980-39
0.682
ALP-POS-ced8ea4d-38
0.682
ALP-POS-ced8ea4d-53
0.682
ALP-POS-ced8ea4d-52
0.679
ALP-POS-ced8ea4d-5
0.679
ALP-POS-ced8ea4d-11
0.679
ALP-UNI-fe744232-14
0.679
ALP-POS-ced8ea4d-15
0.679
ALP-POS-95f71980-14
0.676
ALP-POS-ced8ea4d-8
0.676
ALP-POS-ced8ea4d-12
0.673
ALP-UNI-fe744232-9
0.673
ALP-POS-ced8ea4d-63
0.673
ALP-POS-ced8ea4d-51
0.673
ALP-POS-ced8ea4d-18
0.673
ALP-POS-ced8ea4d-16
0.670
ALP-POS-95f71980-3
0.670
ALP-POS-ced8ea4d-47
0.670
ALP-POS-ced8ea4d-24
0.667
ALP-POS-ced8ea4d-62
0.667
ALP-UNI-fe744232-12
0.667
ALP-POS-95f71980-16
0.664
ALP-POS-ced8ea4d-36
0.661
ALP-POS-ced8ea4d-21
0.661
ALP-UNI-fe744232-30
0.661
ALP-UNI-fe744232-15
0.661
ALP-UNI-fe744232-22
0.661
ALP-UNI-fe744232-11
0.658
ALP-POS-95f71980-20
0.657
ALP-POS-95f71980-9
0.657
ALP-UNI-fe744232-17
0.655
ALP-UNI-fe744232-1
0.655
ALP-POS-95f71980-32
0.652
ALP-POS-95f71980-5
0.651
ALP-POS-ced8ea4d-65
0.649
ALP-POS-95f71980-10
0.646
ALP-POS-95f71980-12
0.645
ALP-POS-95f71980-1
0.642
ALP-POS-95f71980-28
0.640
ALP-POS-95f71980-41
0.640
ALP-POS-ced8ea4d-17
0.637
ALP-POS-95f71980-8
0.637
ALP-UNI-fe744232-19
0.637
ALP-POS-95f71980-26
0.637
ALP-POS-95f71980-13
0.633
ALP-POS-ced8ea4d-1
0.632
ALP-POS-ced8ea4d-25
0.632
ALP-UNI-fe744232-25
0.632
ALP-POS-95f71980-33
0.632
ALP-POS-d0876c20-17
0.629
ALP-POS-95f71980-27
0.626
ALP-UNI-fe744232-13
0.626
ALP-POS-95f71980-34
0.626
ALP-POS-95f71980-35
0.626
ALP-POS-ced8ea4d-7
0.625
ALP-POS-d0876c20-5
0.623
ALP-POS-95f71980-38
0.619
WIL-UNI-354943b6-10
0.615
ALP-POS-ced8ea4d-30
0.612
ALP-POS-ced8ea4d-32
0.610
ALP-POS-95f71980-15
0.610
ALP-POS-ced8ea4d-54
0.606
ALP-POS-95f71980-40
0.605
ALP-POS-d0876c20-1
0.604
ALP-POS-305f6ec3-27
0.602
ALP-POS-95f71980-30
0.602
ALP-POS-ced8ea4d-34
0.600
MAT-POS-f2460aef-3
0.596
ALP-POS-d0876c20-21
0.596
ALP-POS-95f71980-7
0.596
ALP-POS-ced8ea4d-35
0.595
ALP-POS-ced8ea4d-64
0.593
ALP-POS-95f71980-4
0.593
ALP-POS-02c6a514-12
0.593
ALP-POS-95f71980-23
0.591
ALP-POS-305f6ec3-50
0.589
ALP-POS-305f6ec3-19
0.589
ALP-POS-d0876c20-14
0.587
ALP-POS-305f6ec3-46
0.587
ALP-POS-02c6a514-22
0.587
PET-UNK-48ab5cd7-3
0.587
ALP-POS-305f6ec3-12
0.584