Molecular Properties | |
SMILES: | CNC(=O)Nc1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 516.19 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 9 |
TPSA: | 129.46 |
cLogP: | 3.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-UNI-fe744232-13
0.816
ALP-POS-ced8ea4d-27
0.784
ALP-POS-02c6a514-50
0.776
WIL-UNI-354943b6-5
0.772
ALP-POS-ced8ea4d-9
0.768
ALP-POS-ced8ea4d-28
0.763
ALP-UNI-fe744232-18
0.760
ALP-POS-ced8ea4d-19
0.760
ALP-POS-ced8ea4d-67
0.752
ALP-UNI-fe744232-3
0.752
ALP-POS-ced8ea4d-11
0.745
ALP-POS-ced8ea4d-52
0.745
ALP-UNI-fe744232-14
0.745
ALP-POS-ced8ea4d-5
0.745
ALP-POS-ced8ea4d-12
0.738
ALP-POS-ced8ea4d-51
0.738
ALP-POS-95f71980-36
0.738
ALP-UNI-fe744232-9
0.738
ALP-UNI-fe744232-1
0.733
ALP-UNI-fe744232-17
0.733
ALP-POS-ced8ea4d-62
0.731
ALP-UNI-fe744232-22
0.724
ALP-UNI-fe744232-30
0.724
ALP-UNI-fe744232-15
0.724
ALP-UNI-fe744232-25
0.722
ALP-POS-ced8ea4d-16
0.717
ALP-POS-95f71980-3
0.717
ALP-UNI-fe744232-19
0.713
ALP-UNI-fe744232-11
0.704
ALP-POS-ced8ea4d-37
0.702
ALP-POS-95f71980-28
0.700
ALP-POS-ced8ea4d-17
0.697
ALP-POS-ced8ea4d-39
0.695
ALP-POS-ced8ea4d-49
0.695
ALP-POS-95f71980-33
0.691
ALP-POS-95f71980-10
0.691
ALP-POS-95f71980-35
0.685
ALP-POS-95f71980-34
0.685
ALP-POS-95f71980-27
0.685
ALP-POS-ced8ea4d-63
0.673
ALP-POS-ced8ea4d-44
0.670
ALP-POS-ced8ea4d-32
0.667
ALP-POS-95f71980-15
0.667
ALP-POS-95f71980-37
0.667
ALP-POS-95f71980-38
0.661
ALP-POS-ced8ea4d-10
0.658
ALP-POS-95f71980-9
0.657
ALP-POS-ced8ea4d-50
0.655
ALP-POS-ced8ea4d-53
0.652
ALP-POS-ced8ea4d-24
0.652
ALP-POS-ced8ea4d-20
0.652
ALP-POS-ced8ea4d-38
0.652
ALP-POS-95f71980-26
0.652
ALP-POS-ced8ea4d-59
0.649
ALP-POS-95f71980-13
0.648
ALP-POS-ced8ea4d-21
0.646
ALP-POS-ced8ea4d-8
0.646
ALP-POS-ced8ea4d-36
0.646
ALP-POS-95f71980-14
0.645
ALP-POS-ced8ea4d-47
0.640
ALP-POS-ced8ea4d-64
0.638
ALP-POS-ced8ea4d-65
0.635
ALP-POS-95f71980-16
0.633
WIL-UNI-354943b6-6
0.632
ALP-POS-ced8ea4d-18
0.629
ALP-POS-d0876c20-17
0.629
ALP-POS-95f71980-1
0.627
ALP-POS-95f71980-20
0.627
ALP-POS-ced8ea4d-7
0.625
ALP-POS-95f71980-32
0.624
ALP-POS-d0876c20-5
0.623
ALP-POS-95f71980-5
0.622
ALP-POS-95f71980-31
0.622
ALP-POS-95f71980-39
0.622
ALP-POS-ced8ea4d-15
0.621
ALP-POS-ced8ea4d-1
0.619
ALP-POS-ced8ea4d-25
0.619
ALP-POS-95f71980-12
0.616
ALP-POS-95f71980-41
0.611
ALP-POS-95f71980-8
0.609
ALP-POS-95f71980-40
0.605
ALP-POS-ced8ea4d-34
0.600
ALP-POS-ced8ea4d-30
0.598
MAT-POS-f2460aef-3
0.596
ALP-POS-ced8ea4d-35
0.595
ALP-POS-1245c3fa-1
0.593
ALP-POS-95f71980-4
0.593
BRU-THA-92256091-24
0.593
BRU-THA-92256091-15
0.591
ALP-POS-ced8ea4d-54
0.591
ALP-UNI-fe744232-2
0.590
BRU-THA-92256091-22
0.587
ALP-POS-d0876c20-14
0.587
ALP-POS-305f6ec3-46
0.587
PET-UNK-48ab5cd7-3
0.587
ALP-UNI-fe744232-10
0.587
WIL-UNI-354943b6-10
0.586
ALP-POS-02c6a514-11
0.585
ALP-POS-305f6ec3-12
0.584
ALP-POS-95f71980-17
0.583