Molecular Properties | |
SMILES: | CC(C)(c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1)S(C)(=O)=O |
MW: | 564.18 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 122.47 |
cLogP: | 4.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 67.8374830751673 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-02c6a514-50
0.860
ALP-UNI-fe744232-18
0.842
ALP-POS-ced8ea4d-9
0.812
ALP-POS-ced8ea4d-27
0.792
ALP-POS-ced8ea4d-11
0.788
ALP-POS-ced8ea4d-28
0.771
ALP-POS-ced8ea4d-5
0.770
ALP-POS-ced8ea4d-19
0.768
ALP-UNI-fe744232-9
0.762
ALP-POS-ced8ea4d-67
0.760
ALP-UNI-fe744232-3
0.760
ALP-POS-ced8ea4d-52
0.752
ALP-UNI-fe744232-14
0.752
ALP-UNI-fe744232-15
0.748
ALP-UNI-fe744232-22
0.748
ALP-POS-ced8ea4d-51
0.745
ALP-POS-ced8ea4d-12
0.745
ALP-POS-ced8ea4d-16
0.740
ALP-UNI-fe744232-17
0.740
ALP-POS-ced8ea4d-62
0.738
ALP-UNI-fe744232-12
0.738
ALP-UNI-fe744232-30
0.731
ALP-POS-95f71980-33
0.729
ALP-UNI-fe744232-11
0.726
ALP-POS-ced8ea4d-37
0.725
ALP-POS-95f71980-3
0.724
ALP-UNI-fe744232-1
0.724
ALP-POS-95f71980-37
0.721
ALP-POS-ced8ea4d-17
0.720
ALP-UNI-fe744232-19
0.720
ALP-POS-95f71980-10
0.713
ALP-UNI-fe744232-25
0.713
ALP-POS-95f71980-27
0.706
ALP-POS-ced8ea4d-32
0.703
ALP-POS-ced8ea4d-49
0.702
ALP-POS-ced8ea4d-39
0.702
ALP-POS-d0876c20-17
0.700
ALP-POS-95f71980-38
0.696
ALP-POS-d0876c20-5
0.693
ALP-POS-95f71980-28
0.691
ALP-POS-95f71980-35
0.691
ALP-POS-95f71980-34
0.691
ALP-UNI-fe744232-13
0.691
ALP-POS-95f71980-31
0.689
ALP-POS-95f71980-14
0.683
ALP-POS-ced8ea4d-63
0.679
ALP-POS-ced8ea4d-10
0.679
ALP-POS-ced8ea4d-44
0.676
ALP-POS-ced8ea4d-50
0.676
ALP-POS-95f71980-15
0.673
ALP-POS-95f71980-16
0.670
ALP-POS-ced8ea4d-36
0.667
ALP-POS-95f71980-20
0.664
MAT-POS-f2460aef-3
0.663
ALP-POS-95f71980-9
0.663
ALP-POS-95f71980-4
0.660
ALP-POS-95f71980-32
0.658
ALP-POS-ced8ea4d-24
0.658
ALP-POS-ced8ea4d-38
0.658
ALP-POS-ced8ea4d-53
0.658
ALP-POS-ced8ea4d-20
0.658
ALP-POS-95f71980-5
0.657
ALP-POS-95f71980-39
0.657
ALP-POS-95f71980-23
0.657
ALP-POS-ced8ea4d-65
0.655
ALP-POS-ced8ea4d-59
0.655
ALP-POS-95f71980-13
0.654
PET-UNK-48ab5cd7-3
0.654
ALP-POS-d0876c20-14
0.654
ALP-POS-305f6ec3-46
0.654
ALP-POS-ced8ea4d-8
0.652
ALP-POS-ced8ea4d-21
0.652
ALP-POS-95f71980-12
0.651
WIL-UNI-354943b6-10
0.651
ALP-POS-95f71980-17
0.650
ALP-POS-ced8ea4d-18
0.649
ALP-POS-95f71980-11
0.649
ALP-POS-305f6ec3-12
0.648
ALP-POS-95f71980-1
0.648
ALP-POS-d0876c20-21
0.648
ALP-POS-305f6ec3-48
0.648
ALP-POS-95f71980-7
0.648
ALP-POS-95f71980-25
0.648
ALP-POS-ced8ea4d-47
0.646
ALP-POS-95f71980-41
0.645
LON-WEI-2e27a2e5-2
0.644
ALP-POS-95f71980-26
0.643
MAT-POS-f2460aef-2
0.641
MAT-POS-f2460aef-1
0.641
LON-WEI-2e27a2e5-1
0.641
ALP-POS-305f6ec3-50
0.639
ALP-POS-d0876c20-1
0.639
ALP-POS-ced8ea4d-1
0.638
ALP-POS-02c6a514-11
0.637
MAT-POS-f2460aef-5
0.632
ALP-POS-305f6ec3-14
0.632
PET-UNK-48ab5cd7-1
0.632
ALP-POS-95f71980-24
0.632
ALP-POS-305f6ec3-33
0.630
ALP-POS-305f6ec3-49
0.629