Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(-n2ccnc2)cc1 |
MW: | 510.18 |
Fraction sp3: | 0.11 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 106.15 |
cLogP: | 4.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-UNI-fe744232-14
0.837
WIL-UNI-354943b6-1
0.786
ALP-POS-ced8ea4d-27
0.768
ALP-POS-02c6a514-50
0.760
ALP-UNI-fe744232-3
0.755
ALP-POS-ced8ea4d-9
0.752
ALP-POS-95f71980-3
0.752
ALP-POS-ced8ea4d-5
0.748
ALP-POS-ced8ea4d-28
0.747
ALP-POS-ced8ea4d-19
0.745
ALP-UNI-fe744232-18
0.745
ALP-POS-95f71980-33
0.741
ALP-POS-95f71980-10
0.741
ALP-POS-ced8ea4d-12
0.740
ALP-POS-ced8ea4d-67
0.738
ALP-POS-95f71980-35
0.734
ALP-UNI-fe744232-12
0.733
ALP-POS-ced8ea4d-52
0.731
ALP-POS-ced8ea4d-11
0.731
ALP-UNI-fe744232-30
0.726
ALP-POS-ced8ea4d-51
0.724
ALP-POS-95f71980-36
0.724
ALP-UNI-fe744232-9
0.724
ALP-POS-ced8ea4d-16
0.720
ALP-POS-95f71980-28
0.718
ALP-POS-ced8ea4d-62
0.717
ALP-POS-95f71980-15
0.714
ALP-UNI-fe744232-15
0.710
ALP-UNI-fe744232-22
0.710
ALP-UNI-fe744232-17
0.704
ALP-UNI-fe744232-25
0.694
ALP-UNI-fe744232-11
0.691
ALP-POS-ced8ea4d-37
0.689
ALP-UNI-fe744232-13
0.688
ALP-POS-ced8ea4d-17
0.685
ALP-UNI-fe744232-19
0.685
ALP-POS-ced8ea4d-49
0.682
ALP-POS-ced8ea4d-39
0.682
ALP-POS-ced8ea4d-63
0.676
ALP-POS-95f71980-27
0.673
ALP-POS-95f71980-34
0.673
ALP-POS-ced8ea4d-20
0.670
ALP-POS-ced8ea4d-10
0.661
ALP-POS-ced8ea4d-44
0.658
ALP-POS-ced8ea4d-32
0.655
ALP-POS-95f71980-26
0.655
ALP-POS-ced8ea4d-53
0.655
ALP-POS-95f71980-37
0.655
WIL-UNI-354943b6-7
0.651
ALP-POS-95f71980-38
0.650
ALP-POS-ced8ea4d-21
0.649
ALP-POS-95f71980-9
0.645
ALP-POS-ced8ea4d-47
0.643
ALP-POS-ced8ea4d-24
0.640
ALP-POS-ced8ea4d-38
0.640
ALP-POS-ced8ea4d-59
0.637
ALP-POS-95f71980-13
0.636
ALP-POS-ced8ea4d-8
0.635
ALP-POS-ced8ea4d-36
0.635
ALP-POS-95f71980-14
0.633
ALP-POS-ced8ea4d-50
0.629
BRU-THA-92256091-85
0.625
ALP-POS-ced8ea4d-65
0.624
ALP-POS-ced8ea4d-25
0.622
ALP-POS-ced8ea4d-1
0.622
ALP-POS-95f71980-16
0.622
ALP-POS-ced8ea4d-18
0.619
ALP-POS-d0876c20-17
0.617
ALP-POS-95f71980-1
0.616
ALP-POS-95f71980-20
0.616
ALP-POS-95f71980-32
0.613
ALP-POS-d0876c20-5
0.611
ALP-POS-95f71980-31
0.611
ALP-POS-95f71980-39
0.611
ALP-POS-95f71980-5
0.611
ALP-POS-ced8ea4d-15
0.610
ALP-POS-95f71980-12
0.605
ALP-POS-305f6ec3-12
0.602
ALP-POS-ced8ea4d-30
0.602
ALP-POS-95f71980-41
0.600
ALP-POS-ced8ea4d-35
0.598
ALP-POS-95f71980-8
0.598
ALP-POS-ced8ea4d-7
0.598
ALP-POS-ced8ea4d-64
0.596
ALP-POS-95f71980-4
0.596
ALP-POS-95f71980-40
0.595
ALP-UNI-fe744232-26
0.591
ALP-POS-305f6ec3-46
0.591
BRU-THA-92256091-22
0.591
ALP-UNI-fe744232-10
0.591
ALP-POS-ced8ea4d-34
0.590
ALP-POS-95f71980-17
0.587
ALP-POS-305f6ec3-48
0.586
ALP-POS-d0876c20-21
0.586
ALP-POS-95f71980-25
0.586
MAT-POS-f2460aef-3
0.586
BRU-THA-92256091-24
0.582
ALP-POS-1245c3fa-1
0.582
BRU-THA-92256091-15
0.580
ALP-POS-ced8ea4d-54
0.580