Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(Cn2cccn2)cc1 |
MW: | 524.2 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 106.15 |
cLogP: | 4.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 8.33821771770514 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
BRU-THA-92256091-86
0.796
ALP-POS-02c6a514-50
0.796
ALP-POS-ced8ea4d-27
0.768
ALP-POS-ced8ea4d-52
0.765
ALP-POS-ced8ea4d-11
0.765
ALP-UNI-fe744232-18
0.762
ALP-POS-ced8ea4d-9
0.752
ALP-POS-ced8ea4d-28
0.747
ALP-POS-ced8ea4d-19
0.745
ALP-POS-95f71980-36
0.740
ALP-POS-ced8ea4d-67
0.738
ALP-UNI-fe744232-3
0.738
ALP-UNI-fe744232-14
0.731
ALP-POS-ced8ea4d-5
0.731
ALP-POS-e980f4ea-16
0.726
ALP-POS-ced8ea4d-51
0.724
ALP-POS-ced8ea4d-12
0.724
ALP-UNI-fe744232-9
0.724
ALP-UNI-fe744232-1
0.720
ALP-UNI-fe744232-12
0.717
ALP-POS-ced8ea4d-62
0.717
ALP-UNI-fe744232-15
0.710
ALP-UNI-fe744232-22
0.710
ALP-UNI-fe744232-30
0.710
ALP-POS-95f71980-10
0.709
ALP-POS-ced8ea4d-37
0.705
ALP-POS-95f71980-3
0.704
ALP-UNI-fe744232-17
0.704
ALP-POS-95f71980-35
0.703
ALP-POS-ced8ea4d-17
0.700
ALP-UNI-fe744232-25
0.694
ALP-UNI-fe744232-11
0.691
ALP-UNI-fe744232-19
0.685
ALP-POS-ced8ea4d-49
0.682
ALP-POS-ced8ea4d-39
0.682
ALP-POS-95f71980-33
0.679
ALP-POS-95f71980-20
0.676
ALP-POS-95f71980-34
0.673
ALP-POS-95f71980-27
0.673
ALP-POS-95f71980-28
0.673
ALP-UNI-fe744232-13
0.673
ALP-POS-95f71980-37
0.670
ALP-POS-95f71980-15
0.670
ALP-POS-95f71980-38
0.664
ALP-POS-95f71980-14
0.664
ALP-POS-ced8ea4d-63
0.661
ALP-POS-95f71980-9
0.660
ALP-POS-ced8ea4d-44
0.658
ALP-POS-ced8ea4d-32
0.655
ALP-POS-ced8ea4d-38
0.655
ALP-POS-ced8ea4d-20
0.655
ALP-POS-95f71980-16
0.651
ALP-POS-ced8ea4d-8
0.649
ALP-POS-d0876c20-17
0.648
ALP-POS-ced8ea4d-10
0.646
ALP-POS-95f71980-1
0.645
ALP-POS-d0876c20-5
0.642
ALP-POS-ced8ea4d-24
0.640
ALP-POS-ced8ea4d-53
0.640
ALP-POS-95f71980-26
0.640
ALP-POS-95f71980-5
0.640
ALP-POS-ced8ea4d-59
0.637
ALP-POS-95f71980-13
0.636
ALP-POS-ced8ea4d-21
0.635
ALP-POS-ced8ea4d-36
0.635
ALP-POS-95f71980-12
0.634
ALP-POS-ced8ea4d-18
0.632
ALP-POS-ced8ea4d-47
0.629
ALP-POS-ced8ea4d-50
0.629
ALP-POS-95f71980-41
0.628
ALP-POS-95f71980-8
0.626
ALP-POS-95f71980-31
0.625
ALP-POS-95f71980-39
0.625
ALP-POS-ced8ea4d-65
0.624
ALP-POS-305f6ec3-46
0.620
MAT-POS-f2460aef-3
0.615
ALP-POS-95f71980-32
0.613
ALP-POS-ced8ea4d-35
0.612
ALP-POS-95f71980-4
0.611
ALP-POS-ced8ea4d-15
0.610
ALP-POS-ced8ea4d-1
0.608
ALP-POS-ced8ea4d-25
0.608
ALP-POS-305f6ec3-54
0.607
PET-UNK-48ab5cd7-3
0.606
ALP-POS-d0876c20-14
0.606
ALP-POS-95f71980-17
0.602
ALP-POS-305f6ec3-12
0.602
ALP-POS-305f6ec3-48
0.600
ALP-POS-d0876c20-21
0.600
ALP-POS-95f71980-25
0.600
ALP-POS-ced8ea4d-7
0.598
BRU-THA-92256091-85
0.596
ALP-POS-1245c3fa-1
0.596
ALP-POS-ced8ea4d-64
0.596
ALP-POS-95f71980-40
0.595
ALP-POS-95f71980-23
0.595
LON-WEI-2e27a2e5-2
0.594
ALP-POS-305f6ec3-50
0.593
BRU-THA-92256091-20
0.593
ALP-POS-d0876c20-1
0.593