Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1cccc(C2COC2)c1 |
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: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Oxetanes, thietanes
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-80
0.794
ALP-POS-ced8ea4d-59
0.788
ALP-POS-e980f4ea-59
0.752
ALP-POS-1245c3fa-2
0.745
BRU-THA-92256091-8
0.713
BRU-THA-92256091-54
0.703
WIL-UNI-354943b6-12
0.694
BRU-THA-92256091-75
0.685
BRU-THA-92256091-24
0.683
ALP-POS-1245c3fa-1
0.683
BRU-THA-92256091-55
0.681
BRU-THA-92256091-22
0.676
BRU-THA-92256091-91
0.675
WIL-UNI-354943b6-2
0.673
MAT-POS-f2460aef-3
0.670
BRU-THA-92256091-15
0.664
BRU-THA-92256091-19
0.664
WIL-UNI-354943b6-10
0.657
BRU-THA-92256091-18
0.657
BRU-THA-92256091-32
0.657
BRU-THA-92256091-64
0.655
BRU-THA-92256091-21
0.655
BRU-THA-92256091-92
0.652
BRU-THA-92256091-62
0.652
BRU-THA-92256091-42
0.652
BRU-THA-92256091-23
0.651
BRU-THA-92256091-30
0.651
BRU-THA-92256091-31
0.651
BRU-THA-92256091-84
0.650
BRU-THA-92256091-85
0.649
BRU-THA-92256091-59
0.646
BRU-THA-92256091-61
0.646
WIL-UNI-354943b6-3
0.645
WIL-UNI-354943b6-7
0.645
BRU-THA-92256091-20
0.645
BRU-THA-92256091-14
0.645
BRU-THA-92256091-16
0.645
BRU-THA-92256091-17
0.645
BRU-THA-92256091-67
0.643
WIL-UNI-354943b6-4
0.640
BRU-THA-92256091-51
0.640
BRU-THA-92256091-65
0.640
WIL-UNI-354943b6-5
0.640
BRU-THA-92256091-63
0.638
BRU-THA-92256091-68
0.638
BRU-THA-92256091-60
0.635
BRU-THA-92256091-52
0.635
BRU-THA-92256091-83
0.635
WIL-UNI-354943b6-14
0.634
WIL-UNI-354943b6-8
0.634
WIL-UNI-354943b6-6
0.629
BRU-THA-92256091-66
0.629
WIL-UNI-354943b6-9
0.628
WIL-UNI-354943b6-13
0.626
BRU-THA-92256091-44
0.624
WIL-UNI-354943b6-1
0.623
BRU-THA-92256091-78
0.622
ALP-POS-ced8ea4d-62
0.619
BRU-THA-92256091-86
0.617
BRU-THA-92256091-76
0.617
BRU-THA-92256091-93
0.615
WIL-UNI-354943b6-11
0.612
BRU-THA-92256091-39
0.605
BRU-THA-92256091-11
0.604
ALP-POS-e980f4ea-62
0.602
BRU-THA-92256091-77
0.597
BRU-THA-92256091-1
0.596
BRU-THA-92256091-12
0.595
BRU-THA-92256091-10
0.591
BRU-THA-92256091-50
0.590
BRU-THA-92256091-7
0.587
BRU-THA-92256091-6
0.580
BRU-THA-92256091-88
0.580
BRU-THA-92256091-40
0.571
BRU-THA-92256091-9
0.570
BRU-THA-92256091-2
0.570
BRU-THA-92256091-13
0.570
BRU-THA-92256091-25
0.564
BRU-THA-92256091-69
0.564
BRU-THA-92256091-49
0.563
BRU-THA-92256091-57
0.563
BRU-THA-92256091-70
0.562
BRU-THA-92256091-48
0.557
BRU-THA-92256091-27
0.557
BRU-THA-92256091-38
0.556
BRU-THA-92256091-35
0.555
ALP-POS-ced8ea4d-53
0.554
ALP-POS-ced8ea4d-28
0.554
ALP-POS-95f71980-37
0.551
BRU-THA-92256091-3
0.551
BRU-THA-92256091-5
0.551
BRU-THA-92256091-26
0.551
BRU-THA-92256091-29
0.550
ALP-UNI-fe744232-22
0.546
BRU-THA-92256091-33
0.546
BRU-THA-92256091-34
0.546
BRU-THA-92256091-37
0.545
ALP-POS-95f71980-27
0.545
ALP-POS-ced8ea4d-63
0.542
BRU-THA-92256091-71
0.542