Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCc2cccnc2)c2cccnc2)cc1 |
MW: | 469.21 |
Fraction sp3: | 0.22 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 101.22 |
cLogP: | 4.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 25.2804303733105 |
Order Status | |
Shipped: | synthesis in progress |
ALP-POS-88a7a97e-8
0.812
ALP-POS-88a7a97e-14
0.778
ALP-POS-88a7a97e-35
0.759
ALP-POS-88a7a97e-1
0.744
ALP-POS-88a7a97e-10
0.733
ALP-POS-88a7a97e-22
0.733
ALP-POS-88a7a97e-33
0.733
ALP-POS-88a7a97e-18
0.726
ALP-POS-88a7a97e-16
0.724
ALP-POS-88a7a97e-7
0.718
ALP-POS-88a7a97e-31
0.716
ALP-POS-88a7a97e-2
0.713
ALP-POS-88a7a97e-29
0.708
ALP-POS-88a7a97e-38
0.708
ALP-POS-88a7a97e-32
0.708
ALP-POS-88a7a97e-3
0.708
ALP-POS-88a7a97e-46
0.708
ALP-POS-88a7a97e-13
0.696
ALP-POS-88a7a97e-12
0.693
ALP-POS-88a7a97e-45
0.685
ALP-POS-88a7a97e-17
0.685
ALP-POS-88a7a97e-19
0.685
ALP-POS-02c6a514-50
0.684
LON-WEI-adc59df6-28
0.678
ALP-POS-88a7a97e-34
0.678
ALP-POS-88a7a97e-28
0.670
ALP-POS-88a7a97e-48
0.670
ALP-POS-88a7a97e-11
0.670
ALP-POS-88a7a97e-44
0.670
ALP-POS-88a7a97e-47
0.667
ALP-POS-88a7a97e-49
0.667
ALP-POS-88a7a97e-26
0.663
ALP-POS-42f3de95-2
0.663
ALP-POS-88a7a97e-5
0.663
ALP-POS-42f3de95-1
0.656
ALP-POS-88a7a97e-27
0.656
ALP-POS-88a7a97e-42
0.656
ALP-POS-88a7a97e-39
0.649
ALP-POS-88a7a97e-15
0.646
ALP-POS-88a7a97e-41
0.646
ALP-POS-88a7a97e-9
0.642
ALP-POS-88a7a97e-21
0.639
ALP-POS-88a7a97e-30
0.635
ALP-POS-88a7a97e-36
0.622
ALP-POS-88a7a97e-20
0.619
ALP-POS-88a7a97e-6
0.614
ALP-POS-88a7a97e-43
0.610
ALP-UNI-fe744232-18
0.604
ALP-UNI-fe744232-10
0.590
ALP-POS-95f71980-36
0.587
ALP-POS-02c6a514-57
0.585
ALP-POS-88a7a97e-25
0.570
ALP-POS-88a7a97e-23
0.564
ALP-POS-88a7a97e-24
0.564
ALP-POS-88a7a97e-37
0.564
ALP-POS-88a7a97e-40
0.564
ALP-POS-ced8ea4d-27
0.559
LON-WEI-adc59df6-40
0.558
ALP-POS-ced8ea4d-9
0.548
ALP-POS-ced8ea4d-19
0.543
ALP-UNI-fe744232-9
0.542
LON-WEI-adc59df6-36
0.542
ALP-POS-ced8ea4d-16
0.541
ALP-POS-ced8ea4d-28
0.539
ALP-POS-d0876c20-17
0.539
ALP-UNI-fe744232-24
0.538
ALP-UNI-fe744232-16
0.538
ALP-POS-ced8ea4d-67
0.538
ALP-UNI-fe744232-3
0.538
ALP-POS-ced8ea4d-62
0.537
ALP-POS-95f71980-37
0.537
ALP-UNI-fe744232-21
0.537
ALP-POS-d0876c20-5
0.534
ALP-POS-ced8ea4d-52
0.533
ALP-POS-ced8ea4d-5
0.533
ALP-POS-ced8ea4d-11
0.533
ALP-UNI-fe744232-14
0.533
ALP-UNI-fe744232-15
0.532
LON-WEI-adc59df6-20
0.531
ALP-UNI-fe744232-7
0.528
ALP-UNI-fe744232-6
0.528
ALP-POS-ced8ea4d-12
0.528
ALP-POS-ced8ea4d-51
0.528
ALP-UNI-fe744232-17
0.527
LON-WEI-adc59df6-23
0.525
ALP-UNI-fe744232-8
0.523
ALP-UNI-fe744232-12
0.523
ALP-POS-42f3de95-3
0.523
ALP-UNI-fe744232-28
0.523
ALP-POS-95f71980-4
0.519
ALP-UNI-fe744232-5
0.519
ALP-UNI-fe744232-22
0.518
ALP-UNI-fe744232-30
0.518
ALP-POS-95f71980-27
0.518
ALP-POS-02c6a514-54
0.515
ALP-POS-02c6a514-53
0.515
PET-UNK-48ab5cd7-3
0.514
ALP-UNI-fe744232-27
0.514
ALP-POS-95f71980-3
0.514
ALP-UNI-fe744232-1
0.514