Molecular Properties | |
SMILES: | COc1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 474.17 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 97.56 |
cLogP: | 3.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 22.1784063885424 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-ced8ea4d-67
0.860
ALP-UNI-fe744232-30
0.844
ALP-POS-ced8ea4d-12
0.842
ALP-POS-ced8ea4d-51
0.842
ALP-POS-ced8ea4d-27
0.817
ALP-POS-ced8ea4d-52
0.812
ALP-POS-02c6a514-50
0.809
ALP-POS-ced8ea4d-9
0.800
ALP-POS-ced8ea4d-28
0.796
ALP-UNI-fe744232-18
0.792
ALP-UNI-fe744232-3
0.784
ALP-POS-ced8ea4d-62
0.778
ALP-POS-ced8ea4d-5
0.776
ALP-POS-ced8ea4d-11
0.776
ALP-UNI-fe744232-14
0.776
ALP-UNI-fe744232-9
0.768
ALP-POS-95f71980-36
0.768
BRU-THA-92256091-19
0.763
ALP-UNI-fe744232-12
0.760
ALP-POS-ced8ea4d-32
0.755
ALP-UNI-fe744232-15
0.752
ALP-UNI-fe744232-22
0.752
ALP-UNI-fe744232-1
0.745
ALP-UNI-fe744232-17
0.745
ALP-POS-95f71980-3
0.745
ALP-POS-ced8ea4d-16
0.745
ALP-POS-ced8ea4d-49
0.740
ALP-POS-ced8ea4d-39
0.740
ALP-UNI-fe744232-11
0.731
ALP-POS-ced8ea4d-37
0.730
ALP-POS-ced8ea4d-44
0.728
ALP-POS-ced8ea4d-50
0.726
ALP-POS-95f71980-27
0.726
ALP-POS-95f71980-28
0.726
ALP-POS-95f71980-34
0.726
ALP-UNI-fe744232-19
0.724
ALP-POS-ced8ea4d-17
0.724
ALP-POS-b0bc6a46-22
0.722
ALP-POS-02c6a514-37
0.722
ALP-UNI-fe744232-25
0.717
ALP-POS-95f71980-10
0.717
ALP-POS-95f71980-33
0.717
ALP-UNI-fe744232-13
0.710
ALP-POS-95f71980-35
0.710
ALP-POS-95f71980-9
0.700
ALP-POS-ced8ea4d-63
0.699
ALP-POS-ced8ea4d-10
0.698
ALP-POS-95f71980-37
0.692
ALP-POS-ced8ea4d-20
0.692
ALP-POS-ced8ea4d-38
0.692
ALP-POS-ced8ea4d-53
0.692
ALP-POS-95f71980-15
0.691
ALP-POS-e980f4ea-19
0.690
ALP-UNI-fe744232-2
0.685
ALP-POS-ced8ea4d-8
0.685
ALP-POS-ced8ea4d-21
0.685
ALP-POS-95f71980-38
0.685
ALP-POS-ced8ea4d-47
0.679
ALP-POS-ced8ea4d-24
0.676
ALP-UNI-fe744232-10
0.673
ALP-POS-95f71980-13
0.673
ALP-UNI-fe744232-23
0.673
ALP-POS-ced8ea4d-59
0.673
ALP-POS-ced8ea4d-65
0.673
ALP-POS-ced8ea4d-15
0.673
ALP-POS-95f71980-14
0.670
ALP-POS-ced8ea4d-36
0.670
ALP-POS-ced8ea4d-18
0.667
ALP-POS-ced8ea4d-34
0.667
ALP-POS-95f71980-26
0.661
ALP-POS-95f71980-5
0.660
ALP-POS-95f71980-16
0.657
ALP-UNI-fe744232-6
0.654
BRU-THA-92256091-18
0.654
ALP-POS-d0876c20-17
0.653
ALP-POS-95f71980-1
0.651
ALP-POS-95f71980-20
0.651
ALP-UNI-fe744232-16
0.650
ALP-POS-95f71980-41
0.648
ALP-POS-d0876c20-5
0.647
ALP-POS-95f71980-32
0.646
WIL-UNI-354943b6-14
0.645
ALP-UNI-fe744232-21
0.645
ALP-POS-95f71980-31
0.645
ALP-POS-95f71980-39
0.645
ALP-POS-95f71980-40
0.642
BRU-THA-92256091-16
0.642
BRU-THA-92256091-17
0.642
ALP-POS-ced8ea4d-1
0.640
ALP-POS-ced8ea4d-25
0.640
ALP-POS-95f71980-12
0.639
ALP-UNI-fe744232-7
0.638
ALP-POS-02c6a514-25
0.635
ALP-POS-ced8ea4d-7
0.634
ALP-UNI-fe744232-8
0.632
ALP-POS-ced8ea4d-64
0.631
ALP-POS-95f71980-8
0.631
MAT-POS-f2460aef-3
0.619
ALP-POS-ced8ea4d-30
0.619
BRU-THA-92256091-23
0.617