Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1ccc(C2COC2)cc1 |
MW: | 499.2 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 100.21 |
cLogP: | 3.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 22.6971238146488 |
Order Status | |
Shipped: | synthesis in progress |
Oxetanes, thietanes
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-79
0.794
BRU-THA-92256091-91
0.790
ALP-POS-ced8ea4d-62
0.782
ALP-POS-1245c3fa-1
0.773
BRU-THA-92256091-24
0.773
BRU-THA-92256091-19
0.768
BRU-THA-92256091-22
0.765
WIL-UNI-354943b6-12
0.765
WIL-UNI-354943b6-2
0.760
BRU-THA-92256091-18
0.760
MAT-POS-f2460aef-3
0.758
BRU-THA-92256091-8
0.753
BRU-THA-92256091-15
0.750
WIL-UNI-354943b6-3
0.745
BRU-THA-92256091-17
0.745
BRU-THA-92256091-16
0.745
ALP-POS-e980f4ea-62
0.745
BRU-THA-92256091-84
0.743
WIL-UNI-354943b6-10
0.743
BRU-THA-92256091-21
0.738
BRU-THA-92256091-23
0.735
WIL-UNI-354943b6-8
0.731
WIL-UNI-354943b6-14
0.731
BRU-THA-92256091-20
0.728
WIL-UNI-354943b6-7
0.728
BRU-THA-92256091-14
0.728
WIL-UNI-354943b6-9
0.724
WIL-UNI-354943b6-5
0.721
BRU-THA-92256091-75
0.721
WIL-UNI-354943b6-4
0.720
BRU-THA-92256091-85
0.714
BRU-THA-92256091-83
0.713
WIL-UNI-354943b6-6
0.706
WIL-UNI-354943b6-11
0.704
WIL-UNI-354943b6-13
0.704
WIL-UNI-354943b6-1
0.701
BRU-THA-92256091-86
0.694
BRU-THA-92256091-32
0.692
BRU-THA-92256091-54
0.691
BRU-THA-92256091-93
0.691
BRU-THA-92256091-30
0.686
BRU-THA-92256091-31
0.686
ALP-POS-1245c3fa-2
0.683
ALP-POS-95f71980-27
0.670
BRU-THA-92256091-55
0.670
BRU-THA-92256091-42
0.655
BRU-THA-92256091-62
0.655
BRU-THA-92256091-59
0.649
BRU-THA-92256091-61
0.649
BRU-THA-92256091-67
0.646
BRU-THA-92256091-64
0.643
BRU-THA-92256091-51
0.643
BRU-THA-92256091-65
0.643
BRU-THA-92256091-68
0.640
BRU-THA-92256091-60
0.637
BRU-THA-92256091-52
0.637
BRU-THA-92256091-66
0.632
ALP-POS-95f71980-34
0.626
BRU-THA-92256091-92
0.626
BRU-THA-92256091-44
0.626
BRU-THA-92256091-63
0.626
BRU-THA-92256091-78
0.624
BRU-THA-92256091-39
0.622
BRU-THA-92256091-11
0.621
ALP-POS-ced8ea4d-59
0.619
BRU-THA-92256091-7
0.619
BRU-THA-92256091-76
0.619
ALP-POS-02c6a514-5
0.618
ALP-POS-b0bc6a46-5
0.618
BRU-THA-92256091-1
0.613
BRU-THA-92256091-10
0.607
ALP-POS-ced8ea4d-27
0.602
ALP-UNI-fe744232-22
0.602
ALP-POS-e980f4ea-59
0.602
ALP-POS-ced8ea4d-19
0.600
WIL-UNI-de614146-1
0.600
BRU-THA-92256091-77
0.598
BRU-THA-92256091-12
0.596
ALP-POS-305f6ec3-14
0.596
ALP-POS-02c6a514-50
0.596
BRU-THA-92256091-6
0.596
ALP-POS-ced8ea4d-67
0.595
ALP-UNI-fe744232-3
0.595
ALP-POS-305f6ec3-33
0.595
WIL-UNI-de614146-7
0.593
BRU-THA-92256091-50
0.591
ALP-POS-ced8ea4d-9
0.591
BRU-THA-92256091-40
0.586
ALP-UNI-fe744232-18
0.586
BRU-THA-92256091-2
0.586
BRU-THA-92256091-9
0.586
BRU-THA-92256091-13
0.586
ALP-POS-ced8ea4d-51
0.584
ALP-UNI-fe744232-9
0.584
ALP-POS-ced8ea4d-12
0.584
ALP-POS-ced8ea4d-28
0.583
ALP-POS-ced8ea4d-32
0.583
BRU-THA-92256091-88
0.581
BRU-THA-92256091-69
0.579
ALP-POS-95f71980-4
0.578