Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(OC2CCOC2)cc1 |
MW: | 530.2 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 106.79 |
cLogP: | 4.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 6.31902090167061 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
BRU-THA-92256091-84
0.802
ALP-POS-ced8ea4d-19
0.755
ALP-POS-ced8ea4d-67
0.748
ALP-POS-ced8ea4d-62
0.743
ALP-POS-e980f4ea-32
0.737
ALP-POS-ced8ea4d-51
0.734
ALP-POS-ced8ea4d-12
0.734
ALP-UNI-fe744232-30
0.721
ALP-POS-ced8ea4d-27
0.710
ALP-POS-02c6a514-50
0.704
ALP-POS-95f71980-36
0.703
ALP-POS-ced8ea4d-9
0.697
ALP-POS-ced8ea4d-17
0.696
ALP-POS-ced8ea4d-52
0.694
ALP-POS-ced8ea4d-28
0.692
ALP-UNI-fe744232-18
0.691
ALP-UNI-fe744232-22
0.690
ALP-UNI-fe744232-11
0.687
ALP-UNI-fe744232-3
0.685
ALP-UNI-fe744232-13
0.684
ALP-UNI-fe744232-14
0.679
ALP-POS-ced8ea4d-5
0.679
ALP-POS-ced8ea4d-11
0.679
ALP-POS-ced8ea4d-49
0.679
ALP-UNI-fe744232-9
0.673
ALP-POS-ced8ea4d-63
0.673
ALP-POS-95f71980-34
0.669
ALP-POS-95f71980-27
0.669
ALP-UNI-fe744232-12
0.667
ALP-POS-ced8ea4d-39
0.664
ALP-POS-95f71980-33
0.661
ALP-UNI-fe744232-15
0.661
ALP-POS-95f71980-28
0.655
ALP-UNI-fe744232-17
0.655
ALP-UNI-fe744232-1
0.655
ALP-POS-ced8ea4d-16
0.655
ALP-POS-95f71980-3
0.655
ALP-POS-ced8ea4d-37
0.655
ALP-POS-ced8ea4d-59
0.650
ALP-UNI-fe744232-25
0.647
ALP-POS-95f71980-10
0.647
ALP-UNI-fe744232-19
0.639
ALP-POS-ced8ea4d-53
0.639
ALP-POS-95f71980-38
0.634
ALP-POS-ced8ea4d-47
0.628
ALP-POS-95f71980-35
0.628
ALP-POS-ced8ea4d-44
0.627
ALP-POS-95f71980-15
0.626
ALP-POS-95f71980-32
0.626
ALP-POS-ced8ea4d-10
0.617
ALP-POS-ced8ea4d-66
0.615
ALP-POS-95f71980-9
0.614
ALP-POS-ced8ea4d-24
0.612
ALP-POS-95f71980-37
0.610
ALP-POS-ced8ea4d-65
0.610
ALP-POS-ced8ea4d-36
0.607
ALP-UNI-fe744232-10
0.605
ALP-POS-ced8ea4d-50
0.602
ALP-POS-ced8ea4d-20
0.598
ALP-POS-ced8ea4d-38
0.598
ALP-POS-ced8ea4d-15
0.597
ALP-POS-ced8ea4d-8
0.593
ALP-POS-ced8ea4d-21
0.593
ALP-POS-95f71980-13
0.593
ALP-POS-ced8ea4d-18
0.592
ALP-POS-ced8ea4d-14
0.592
ALP-POS-95f71980-14
0.590
ALP-POS-95f71980-1
0.588
ALP-POS-95f71980-20
0.588
ALP-POS-95f71980-26
0.585
BRU-THA-92256091-80
0.583
ALP-POS-95f71980-31
0.583
ALP-POS-95f71980-39
0.583
ALP-POS-ced8ea4d-1
0.583
ALP-POS-ced8ea4d-25
0.583
ALP-POS-d0876c20-5
0.583
BRU-THA-92256091-19
0.581
ALP-UNI-fe744232-2
0.581
ALP-POS-ced8ea4d-55
0.581
ALP-POS-95f71980-16
0.580
ALP-POS-95f71980-12
0.579
ALP-POS-ced8ea4d-34
0.577
BRU-THA-92256091-18
0.576
ALP-POS-d0876c20-17
0.574
ALP-POS-95f71980-41
0.574
ALP-UNI-fe744232-16
0.573
ALP-POS-95f71980-5
0.570
ALP-UNI-fe744232-23
0.569
ALP-POS-ced8ea4d-56
0.569
BRU-THA-92256091-17
0.567
BRU-THA-92256091-16
0.567
ALP-POS-ced8ea4d-30
0.565
ALP-UNI-fe744232-6
0.563
ALP-UNI-fe744232-7
0.563
ALP-POS-95f71980-8
0.560
BRU-THA-92256091-91
0.559
ALP-UNI-fe744232-8
0.558
ALP-POS-ced8ea4d-22
0.558
ALP-POS-ced8ea4d-13
0.558
WIL-UNI-354943b6-14
0.557