Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(F)(F)F)nc1 |
MW: | 513.14 |
Fraction sp3: | 0.16 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 101.22 |
cLogP: | 4.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 36.4204777334504 |
Order Status | |
Shipped: | synthesis in progress |
high halogen content (>3)
Long aliphatic chain
ALP-POS-ced8ea4d-49
0.786
ALP-POS-ced8ea4d-9
0.773
ALP-POS-ced8ea4d-28
0.768
ALP-POS-ced8ea4d-39
0.768
BRU-THA-92256091-32
0.765
ALP-POS-02c6a514-50
0.763
ALP-POS-ced8ea4d-27
0.753
ALP-POS-ced8ea4d-5
0.750
ALP-UNI-fe744232-18
0.747
ALP-POS-95f71980-1
0.743
ALP-POS-ced8ea4d-67
0.740
ALP-POS-ced8ea4d-52
0.733
ALP-POS-ced8ea4d-19
0.730
ALP-POS-95f71980-36
0.725
ALP-UNI-fe744232-3
0.723
ALP-POS-ced8ea4d-17
0.717
ALP-UNI-fe744232-14
0.716
ALP-POS-ced8ea4d-11
0.716
ALP-POS-ced8ea4d-51
0.709
ALP-UNI-fe744232-9
0.709
ALP-POS-ced8ea4d-12
0.709
ALP-POS-ced8ea4d-16
0.705
ALP-POS-e980f4ea-37
0.703
ALP-POS-95f71980-37
0.702
ALP-UNI-fe744232-12
0.702
ALP-POS-ced8ea4d-62
0.702
ALP-POS-95f71980-14
0.696
ALP-UNI-fe744232-30
0.695
ALP-UNI-fe744232-15
0.695
ALP-UNI-fe744232-22
0.695
ALP-POS-ced8ea4d-63
0.692
ALP-POS-95f71980-20
0.692
ALP-POS-ced8ea4d-18
0.691
ALP-POS-95f71980-3
0.689
ALP-POS-ced8ea4d-44
0.689
ALP-UNI-fe744232-1
0.689
ALP-UNI-fe744232-17
0.689
ALP-POS-95f71980-39
0.686
ALP-POS-95f71980-10
0.679
ALP-POS-95f71980-9
0.676
ALP-UNI-fe744232-11
0.676
ALP-POS-ced8ea4d-10
0.676
ALP-UNI-fe744232-13
0.673
ALP-POS-95f71980-5
0.670
ALP-POS-ced8ea4d-53
0.670
ALP-UNI-fe744232-19
0.670
ALP-POS-ced8ea4d-24
0.670
ALP-POS-ced8ea4d-38
0.670
ALP-POS-ced8ea4d-20
0.670
ALP-POS-95f71980-16
0.667
ALP-POS-ced8ea4d-59
0.667
ALP-POS-ced8ea4d-21
0.664
ALP-POS-95f71980-33
0.664
ALP-POS-ced8ea4d-8
0.664
ALP-UNI-fe744232-25
0.664
ALP-POS-ced8ea4d-36
0.664
ALP-POS-95f71980-12
0.664
ALP-POS-95f71980-27
0.658
ALP-POS-95f71980-28
0.658
ALP-POS-95f71980-34
0.658
ALP-POS-95f71980-35
0.658
ALP-POS-ced8ea4d-47
0.658
ALP-POS-ced8ea4d-50
0.658
ALP-POS-95f71980-32
0.655
ALP-POS-ced8ea4d-32
0.655
ALP-POS-95f71980-26
0.655
ALP-POS-95f71980-31
0.654
ALP-POS-ced8ea4d-65
0.652
ALP-POS-95f71980-13
0.651
ALP-POS-95f71980-38
0.649
ALP-POS-95f71980-30
0.646
ALP-POS-95f71980-41
0.642
ALP-POS-95f71980-15
0.640
ALP-POS-95f71980-8
0.640
ALP-POS-ced8ea4d-15
0.637
ALP-POS-ced8ea4d-1
0.635
ALP-POS-ced8ea4d-25
0.635
ALP-POS-d0876c20-17
0.631
ALP-POS-ced8ea4d-7
0.627
ALP-POS-d0876c20-5
0.625
ALP-POS-95f71980-40
0.622
ALP-POS-ced8ea4d-34
0.616
ALP-POS-ced8ea4d-30
0.613
ALP-POS-d0876c20-21
0.613
ALP-POS-ced8ea4d-35
0.611
ALP-POS-ced8ea4d-64
0.610
ALP-POS-ced8ea4d-54
0.607
ALP-POS-ced8ea4d-66
0.600
BRU-THA-92256091-31
0.596
ALP-POS-ced8ea4d-13
0.596
ALP-POS-ced8ea4d-22
0.596
BRU-THA-92256091-15
0.593
ALP-POS-ced8ea4d-45
0.584
ALP-POS-95f71980-25
0.583
MAT-POS-f2460aef-3
0.583
ALP-POS-ced8ea4d-41
0.582
BRU-THA-92256091-30
0.582
LON-WEI-babf2c61-9
0.581
ALP-POS-ced8ea4d-2
0.580
ALP-POS-95f71980-4
0.579