Molecular Properties | |
SMILES: | Cc1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 458.18 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.33 |
cLogP: | 4.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 50.1942931711597 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-02c6a514-50
0.835
ALP-POS-ced8ea4d-9
0.826
ALP-POS-ced8ea4d-28
0.822
ALP-UNI-fe744232-18
0.817
ALP-POS-ced8ea4d-19
0.817
ALP-UNI-fe744232-3
0.809
ALP-POS-ced8ea4d-67
0.809
ALP-POS-ced8ea4d-52
0.800
ALP-POS-ced8ea4d-5
0.800
ALP-POS-ced8ea4d-11
0.800
ALP-UNI-fe744232-14
0.800
ALP-POS-ced8ea4d-12
0.792
ALP-POS-ced8ea4d-51
0.792
ALP-POS-95f71980-36
0.792
ALP-UNI-fe744232-9
0.792
ALP-POS-95f71980-3
0.786
ALP-POS-ced8ea4d-62
0.784
ALP-UNI-fe744232-12
0.784
ALP-UNI-fe744232-22
0.776
ALP-UNI-fe744232-15
0.776
ALP-UNI-fe744232-30
0.776
ALP-POS-ced8ea4d-16
0.768
ALP-UNI-fe744232-1
0.768
ALP-UNI-fe744232-17
0.768
BRU-THA-92256091-24
0.755
ALP-POS-95f71980-33
0.755
ALP-POS-ced8ea4d-37
0.753
ALP-UNI-fe744232-11
0.752
ALP-POS-95f71980-28
0.748
ALP-POS-ced8ea4d-17
0.745
ALP-UNI-fe744232-19
0.745
ALP-POS-ced8ea4d-49
0.745
ALP-POS-ced8ea4d-39
0.745
ALP-UNI-fe744232-25
0.738
ALP-POS-95f71980-10
0.738
ALP-POS-95f71980-38
0.736
ALP-POS-ced8ea4d-44
0.733
ALP-POS-95f71980-27
0.731
ALP-POS-95f71980-35
0.731
ALP-POS-95f71980-34
0.731
ALP-UNI-fe744232-13
0.731
ALP-POS-ced8ea4d-21
0.721
ALP-POS-ced8ea4d-63
0.720
ALP-POS-95f71980-37
0.713
ALP-POS-ced8ea4d-53
0.712
ALP-POS-95f71980-15
0.710
ALP-POS-ced8ea4d-32
0.710
ALP-POS-95f71980-9
0.704
ALP-POS-ced8ea4d-10
0.702
ALP-POS-ced8ea4d-47
0.698
ALP-POS-ced8ea4d-38
0.695
ALP-POS-ced8ea4d-20
0.695
ALP-POS-ced8ea4d-24
0.695
ALP-POS-95f71980-16
0.693
ALP-POS-95f71980-13
0.693
ALP-POS-ced8ea4d-59
0.692
ALP-POS-ced8ea4d-65
0.692
ALP-POS-95f71980-14
0.690
ALP-POS-ced8ea4d-36
0.689
ALP-POS-ced8ea4d-8
0.689
ALP-POS-95f71980-20
0.686
ALP-POS-ced8ea4d-18
0.685
ALP-POS-ced8ea4d-50
0.682
ALP-POS-e980f4ea-27
0.680
ALP-POS-95f71980-5
0.680
ALP-POS-95f71980-26
0.679
ALP-POS-95f71980-32
0.679
ALP-POS-d0876c20-17
0.673
ALP-POS-95f71980-12
0.673
ALP-POS-95f71980-1
0.670
ALP-POS-d0876c20-5
0.667
ALP-POS-95f71980-8
0.664
ALP-POS-95f71980-31
0.663
ALP-POS-95f71980-39
0.663
ALP-POS-ced8ea4d-15
0.661
ALP-POS-ced8ea4d-25
0.658
ALP-POS-ced8ea4d-1
0.658
ALP-POS-ced8ea4d-7
0.653
ALP-POS-95f71980-41
0.651
ALP-POS-ced8ea4d-64
0.650
ALP-POS-95f71980-40
0.645
ALP-POS-d0876c20-1
0.644
ALP-POS-ced8ea4d-34
0.639
MAT-POS-f2460aef-3
0.637
ALP-POS-ced8ea4d-30
0.635
ALP-POS-95f71980-4
0.634
ALP-POS-1245c3fa-1
0.634
ALP-POS-ced8ea4d-35
0.633
ALP-POS-ced8ea4d-54
0.631
BRU-THA-92256091-15
0.631
ALP-POS-305f6ec3-46
0.627
PET-UNK-48ab5cd7-3
0.627
ALP-POS-d0876c20-14
0.627
ALP-UNI-fe744232-10
0.627
BRU-THA-92256091-22
0.627
WIL-UNI-354943b6-10
0.625
ALP-POS-95f71980-17
0.624
ALP-POS-305f6ec3-12
0.623
ALP-POS-d0876c20-21
0.621
ALP-POS-95f71980-25
0.621