Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1cnc(C2CCC2)nc1 |
MW: | 500.2 |
Fraction sp3: | 0.26 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 114.11 |
cLogP: | 4.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 69.1091170425532 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
BRU-THA-92256091-75
0.780
ALP-POS-ced8ea4d-62
0.738
ALP-POS-ced8ea4d-28
0.735
ALP-POS-ced8ea4d-27
0.720
ALP-POS-e980f4ea-63
0.718
ALP-POS-02c6a514-50
0.713
ALP-POS-ced8ea4d-9
0.706
ALP-POS-ced8ea4d-17
0.704
ALP-UNI-fe744232-14
0.702
ALP-POS-ced8ea4d-59
0.701
ALP-POS-ced8ea4d-19
0.699
ALP-UNI-fe744232-18
0.699
ALP-UNI-fe744232-3
0.692
ALP-POS-ced8ea4d-37
0.692
ALP-POS-ced8ea4d-67
0.692
ALP-POS-ced8ea4d-5
0.686
ALP-POS-ced8ea4d-11
0.686
ALP-POS-ced8ea4d-39
0.686
ALP-POS-ced8ea4d-52
0.686
ALP-POS-ced8ea4d-49
0.686
ALP-UNI-fe744232-22
0.682
ALP-POS-95f71980-10
0.682
ALP-UNI-fe744232-9
0.679
ALP-POS-95f71980-36
0.679
ALP-POS-ced8ea4d-12
0.679
ALP-POS-ced8ea4d-51
0.679
ALP-UNI-fe744232-1
0.676
ALP-POS-95f71980-3
0.676
ALP-UNI-fe744232-13
0.676
ALP-POS-95f71980-28
0.676
ALP-POS-95f71980-27
0.676
ALP-POS-95f71980-34
0.676
ALP-UNI-fe744232-12
0.673
ALP-POS-95f71980-37
0.673
ALP-POS-ced8ea4d-32
0.673
ALP-UNI-fe744232-15
0.667
ALP-UNI-fe744232-30
0.667
ALP-POS-95f71980-38
0.667
ALP-POS-95f71980-14
0.667
ALP-POS-ced8ea4d-25
0.667
ALP-UNI-fe744232-11
0.664
ALP-POS-95f71980-1
0.664
ALP-POS-95f71980-20
0.664
ALP-POS-95f71980-9
0.663
ALP-UNI-fe744232-17
0.661
ALP-POS-ced8ea4d-44
0.661
ALP-POS-ced8ea4d-16
0.661
ALP-POS-95f71980-15
0.658
ALP-POS-95f71980-32
0.658
ALP-POS-ced8ea4d-53
0.658
ALP-POS-95f71980-16
0.654
ALP-UNI-fe744232-25
0.652
ALP-POS-95f71980-33
0.652
ALP-POS-ced8ea4d-10
0.649
ALP-POS-ced8ea4d-47
0.646
ALP-POS-95f71980-35
0.646
ALP-POS-ced8ea4d-22
0.645
ALP-POS-ced8ea4d-13
0.645
ALP-POS-ced8ea4d-20
0.643
ALP-UNI-fe744232-19
0.643
ALP-POS-ced8ea4d-24
0.643
ALP-POS-ced8ea4d-38
0.643
ALP-POS-95f71980-26
0.643
ALP-POS-95f71980-39
0.642
ALP-POS-ced8ea4d-65
0.640
ALP-POS-95f71980-13
0.639
ALP-POS-ced8ea4d-21
0.637
ALP-POS-ced8ea4d-8
0.637
ALP-POS-ced8ea4d-36
0.637
ALP-POS-95f71980-12
0.636
ALP-POS-ced8ea4d-50
0.632
ALP-POS-95f71980-41
0.631
ALP-POS-95f71980-31
0.627
ALP-POS-ced8ea4d-2
0.627
ALP-POS-95f71980-5
0.627
ALP-POS-ced8ea4d-15
0.626
ALP-POS-ced8ea4d-1
0.624
ALP-POS-ced8ea4d-14
0.622
ALP-POS-ced8ea4d-18
0.621
ALP-POS-ced8ea4d-45
0.616
ALP-POS-ced8ea4d-7
0.615
ALP-POS-ced8ea4d-54
0.611
ALP-POS-95f71980-40
0.611
ALP-POS-ced8ea4d-61
0.609
ALP-POS-ced8ea4d-34
0.605
ALP-POS-ced8ea4d-66
0.604
ALP-POS-ced8ea4d-30
0.603
ALP-POS-95f71980-8
0.600
ALP-POS-ced8ea4d-35
0.600
ALP-POS-ced8ea4d-64
0.598
ALP-POS-95f71980-30
0.593
ALP-POS-d0876c20-17
0.589
ALP-POS-d0876c20-5
0.583
ALP-POS-ced8ea4d-56
0.583
ALP-POS-ced8ea4d-58
0.579
ALP-POS-ced8ea4d-43
0.578
ALP-POS-ced8ea4d-33
0.578
ALP-POS-ced8ea4d-3
0.576
ALP-POS-ced8ea4d-6
0.573
ALP-POS-ced8ea4d-41
0.571