Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C2(O)COC2)cc1 |
MW: | 516.18 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 117.79 |
cLogP: | 3.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Oxetanes, thietanes
Long aliphatic chain
ALP-UNI-fe744232-11
0.796
WIL-UNI-354943b6-12
0.792
ALP-POS-ced8ea4d-27
0.776
ALP-POS-02c6a514-50
0.768
ALP-UNI-fe744232-9
0.765
ALP-POS-ced8ea4d-9
0.760
ALP-POS-ced8ea4d-62
0.757
ALP-POS-ced8ea4d-28
0.755
ALP-UNI-fe744232-18
0.752
ALP-POS-ced8ea4d-19
0.752
ALP-POS-95f71980-36
0.748
ALP-UNI-fe744232-3
0.745
ALP-POS-ced8ea4d-67
0.745
ALP-UNI-fe744232-14
0.738
ALP-POS-ced8ea4d-52
0.738
ALP-POS-ced8ea4d-5
0.738
ALP-POS-ced8ea4d-11
0.738
ALP-UNI-fe744232-15
0.733
ALP-POS-ced8ea4d-51
0.731
ALP-POS-ced8ea4d-12
0.731
ALP-UNI-fe744232-17
0.726
ALP-UNI-fe744232-12
0.724
ALP-UNI-fe744232-30
0.717
ALP-UNI-fe744232-1
0.710
ALP-POS-95f71980-3
0.710
ALP-POS-ced8ea4d-16
0.710
ALP-POS-95f71980-27
0.709
ALP-POS-ced8ea4d-17
0.706
ALP-UNI-fe744232-19
0.706
ALP-UNI-fe744232-25
0.700
ALP-POS-95f71980-33
0.700
ALP-POS-95f71980-10
0.700
ALP-POS-95f71980-38
0.699
ALP-POS-ced8ea4d-37
0.695
ALP-UNI-fe744232-13
0.694
ALP-POS-95f71980-28
0.694
ALP-POS-95f71980-34
0.694
ALP-POS-ced8ea4d-32
0.690
ALP-POS-95f71980-15
0.690
ALP-POS-ced8ea4d-49
0.689
ALP-POS-ced8ea4d-39
0.689
ALP-POS-ced8ea4d-59
0.688
ALP-POS-ced8ea4d-63
0.682
ALP-POS-95f71980-35
0.679
ALP-POS-ced8ea4d-53
0.676
ALP-POS-ced8ea4d-10
0.667
ALP-POS-ced8ea4d-47
0.664
ALP-POS-ced8ea4d-44
0.664
ALP-POS-95f71980-37
0.661
ALP-POS-95f71980-9
0.651
ALP-POS-ced8ea4d-24
0.646
ALP-POS-ced8ea4d-38
0.646
ALP-POS-ced8ea4d-20
0.646
ALP-POS-ced8ea4d-65
0.643
ALP-POS-95f71980-13
0.642
ALP-POS-ced8ea4d-25
0.641
ALP-POS-ced8ea4d-8
0.640
ALP-POS-ced8ea4d-21
0.640
ALP-POS-ced8ea4d-36
0.640
ALP-POS-95f71980-14
0.639
WIL-UNI-354943b6-4
0.637
ALP-POS-ced8ea4d-50
0.635
ALP-POS-95f71980-32
0.632
ALP-POS-d0876c20-5
0.632
ALP-POS-95f71980-26
0.632
ALP-POS-95f71980-39
0.631
ALP-POS-95f71980-16
0.627
ALP-POS-ced8ea4d-1
0.627
ALP-POS-ced8ea4d-18
0.624
ALP-POS-305f6ec3-1
0.623
ALP-POS-d0876c20-17
0.623
ALP-POS-95f71980-1
0.622
ALP-POS-95f71980-20
0.622
ALP-POS-95f71980-31
0.616
ALP-POS-95f71980-5
0.616
ALP-POS-ced8ea4d-15
0.615
ALP-POS-95f71980-12
0.611
ALP-POS-ced8ea4d-30
0.607
MAT-POS-f2460aef-3
0.606
ALP-POS-95f71980-41
0.605
ALP-POS-ced8ea4d-7
0.604
ALP-POS-95f71980-8
0.603
ALP-POS-ced8ea4d-35
0.603
ALP-POS-1245c3fa-1
0.602
BRU-THA-92256091-24
0.602
ALP-POS-ced8ea4d-64
0.602
BRU-THA-92256091-80
0.602
PET-UNK-48ab5cd7-5
0.600
BRU-THA-92256091-15
0.600
ALP-POS-95f71980-40
0.600
WIL-UNI-354943b6-3
0.598
BRU-THA-92256091-22
0.596
ALP-POS-ced8ea4d-34
0.595
WIL-UNI-354943b6-10
0.595
MAT-POS-f2460aef-5
0.591
BRU-THA-92256091-85
0.588
ALP-POS-95f71980-4
0.587
ALP-POS-ced8ea4d-54
0.586
BRU-THA-92256091-19
0.586
LON-WEI-2e27a2e5-2
0.585