Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccccc1 |
MW: | 444.16 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.33 |
cLogP: | 3.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 89.2137756521297 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-ced8ea4d-27
0.822
ALP-POS-02c6a514-50
0.813
ALP-POS-ced8ea4d-9
0.804
ALP-UNI-fe744232-18
0.796
ALP-POS-ced8ea4d-19
0.796
ALP-UNI-fe744232-3
0.787
ALP-POS-ced8ea4d-67
0.787
ALP-UNI-fe744232-14
0.779
ALP-POS-ced8ea4d-52
0.779
ALP-POS-ced8ea4d-5
0.779
ALP-POS-ced8ea4d-11
0.779
ALP-UNI-fe744232-30
0.773
ALP-UNI-fe744232-9
0.771
ALP-POS-ced8ea4d-51
0.771
ALP-POS-95f71980-36
0.771
ALP-POS-ced8ea4d-12
0.771
ALP-POS-ced8ea4d-37
0.768
ALP-UNI-fe744232-12
0.763
ALP-POS-ced8ea4d-62
0.763
ALP-POS-95f71980-13
0.760
ALP-UNI-fe744232-15
0.755
ALP-UNI-fe744232-22
0.755
BRU-THA-92256091-8
0.750
ALP-UNI-fe744232-17
0.747
ALP-POS-95f71980-3
0.747
ALP-UNI-fe744232-1
0.747
ALP-POS-ced8ea4d-16
0.747
ALP-POS-95f71980-37
0.745
ALP-POS-95f71980-26
0.743
ALP-POS-ced8ea4d-49
0.742
ALP-POS-ced8ea4d-39
0.742
ALP-POS-ced8ea4d-63
0.735
ALP-UNI-fe744232-11
0.733
ALP-UNI-fe744232-19
0.725
ALP-POS-ced8ea4d-17
0.725
ALP-POS-ced8ea4d-59
0.723
ALP-POS-95f71980-9
0.719
ALP-UNI-fe744232-25
0.718
ALP-POS-95f71980-10
0.718
ALP-POS-95f71980-33
0.718
ALP-POS-ced8ea4d-64
0.716
ALP-POS-ced8ea4d-44
0.713
ALP-UNI-fe744232-13
0.712
ALP-POS-95f71980-28
0.712
ALP-POS-95f71980-27
0.712
ALP-POS-95f71980-34
0.712
ALP-POS-95f71980-35
0.712
ALP-POS-95f71980-40
0.706
ALP-POS-95f71980-14
0.704
ALP-POS-ced8ea4d-21
0.702
ALP-POS-ced8ea4d-10
0.699
ALP-POS-ced8ea4d-54
0.694
ALP-POS-95f71980-39
0.693
ALP-POS-ced8ea4d-53
0.692
ALP-POS-ced8ea4d-24
0.692
ALP-POS-ced8ea4d-38
0.692
ALP-POS-ced8ea4d-20
0.692
ALP-POS-ced8ea4d-35
0.692
ALP-POS-ced8ea4d-32
0.692
ALP-POS-95f71980-15
0.692
ALP-POS-95f71980-16
0.690
ALP-POS-ced8ea4d-15
0.689
ALP-POS-ced8ea4d-8
0.686
ALP-POS-ced8ea4d-36
0.686
ALP-POS-95f71980-38
0.685
ALP-POS-95f71980-1
0.683
ALP-POS-95f71980-20
0.683
ALP-POS-ced8ea4d-18
0.682
ALP-POS-ced8ea4d-47
0.679
ALP-POS-ced8ea4d-50
0.679
ALP-POS-95f71980-5
0.676
ALP-POS-95f71980-31
0.676
ALP-POS-e980f4ea-28
0.674
ALP-POS-ced8ea4d-65
0.673
ALP-POS-95f71980-12
0.670
ALP-POS-ced8ea4d-7
0.667
ALP-POS-95f71980-41
0.663
ALP-POS-95f71980-32
0.661
ALP-POS-ced8ea4d-1
0.655
ALP-POS-ced8ea4d-25
0.655
ALP-POS-d0876c20-17
0.653
ALP-POS-ced8ea4d-34
0.651
ALP-POS-d0876c20-5
0.646
ALP-POS-95f71980-8
0.645
ALP-POS-02c6a514-11
0.639
ALP-POS-ced8ea4d-30
0.632
ALP-POS-ced8ea4d-41
0.631
PET-UNK-48ab5cd7-3
0.624
ALP-POS-ced8ea4d-58
0.623
ALP-POS-95f71980-30
0.622
ALP-POS-d0876c20-21
0.618
MAT-POS-f2460aef-3
0.618
ALP-POS-ced8ea4d-13
0.615
ALP-POS-ced8ea4d-22
0.615
ALP-POS-1245c3fa-1
0.614
ALP-POS-95f71980-4
0.614
BRU-THA-92256091-24
0.614
BRU-THA-92256091-15
0.612
ALP-POS-ced8ea4d-55
0.609
ALP-UNI-fe744232-10
0.608