Molecular Properties | |
SMILES: | COc1cc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)ccc1S(=O)(=O)N(C)C |
MW: | 581.17 |
Fraction sp3: | 0.21 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 11 |
TPSA: | 134.94 |
cLogP: | 3.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
Hetero_hetero
BRU-THA-92256091-44
0.796
ALP-POS-e980f4ea-50
0.730
ALP-POS-ced8ea4d-19
0.726
ALP-POS-ced8ea4d-44
0.718
ALP-UNI-fe744232-18
0.694
ALP-POS-02c6a514-50
0.692
ALP-POS-ced8ea4d-9
0.685
ALP-POS-95f71980-37
0.685
ALP-POS-ced8ea4d-27
0.682
ALP-POS-ced8ea4d-52
0.682
ALP-POS-ced8ea4d-28
0.679
ALP-POS-95f71980-36
0.676
ALP-POS-ced8ea4d-67
0.673
ALP-UNI-fe744232-3
0.673
ALP-POS-ced8ea4d-49
0.667
ALP-POS-ced8ea4d-5
0.667
ALP-POS-ced8ea4d-11
0.667
ALP-POS-ced8ea4d-39
0.667
ALP-UNI-fe744232-30
0.664
ALP-POS-ced8ea4d-51
0.661
ALP-POS-ced8ea4d-12
0.661
ALP-POS-ced8ea4d-37
0.658
ALP-POS-ced8ea4d-53
0.655
ALP-POS-ced8ea4d-20
0.655
ALP-UNI-fe744232-12
0.655
ALP-UNI-fe744232-14
0.652
ALP-POS-ced8ea4d-10
0.647
ALP-UNI-fe744232-9
0.646
ALP-POS-95f71980-28
0.644
ALP-POS-ced8ea4d-47
0.644
ALP-POS-95f71980-32
0.642
ALP-POS-ced8ea4d-24
0.641
ALP-POS-ced8ea4d-38
0.641
ALP-POS-ced8ea4d-62
0.640
ALP-POS-ced8ea4d-59
0.638
ALP-POS-ced8ea4d-8
0.636
ALP-POS-ced8ea4d-21
0.636
ALP-POS-ced8ea4d-36
0.636
ALP-UNI-fe744232-15
0.635
ALP-UNI-fe744232-22
0.635
ALP-POS-ced8ea4d-63
0.632
ALP-POS-95f71980-9
0.631
ALP-POS-95f71980-34
0.630
ALP-UNI-fe744232-1
0.629
ALP-UNI-fe744232-17
0.629
ALP-POS-95f71980-3
0.629
ALP-POS-ced8ea4d-16
0.629
ALP-POS-ced8ea4d-17
0.627
ALP-POS-ced8ea4d-15
0.625
ALP-POS-ced8ea4d-65
0.625
ALP-POS-ced8ea4d-1
0.623
ALP-POS-ced8ea4d-18
0.620
ALP-POS-95f71980-14
0.619
ALP-UNI-fe744232-11
0.619
ALP-UNI-fe744232-19
0.613
ALP-POS-95f71980-31
0.612
ALP-POS-ced8ea4d-25
0.610
ALP-POS-95f71980-16
0.609
ALP-POS-95f71980-10
0.608
ALP-POS-95f71980-33
0.608
ALP-UNI-fe744232-25
0.608
ALP-POS-95f71980-20
0.603
ALP-POS-95f71980-35
0.603
ALP-UNI-fe744232-13
0.603
ALP-POS-95f71980-27
0.603
ALP-POS-ced8ea4d-30
0.603
ALP-POS-ced8ea4d-32
0.602
ALP-POS-95f71980-26
0.600
ALP-POS-95f71980-5
0.598
ALP-POS-95f71980-39
0.598
ALP-POS-95f71980-13
0.595
ALP-POS-95f71980-12
0.593
ALP-POS-ced8ea4d-34
0.592
ALP-POS-95f71980-1
0.590
ALP-POS-95f71980-15
0.589
ALP-POS-95f71980-41
0.588
ALP-POS-95f71980-8
0.587
ALP-POS-95f71980-38
0.584
ALP-POS-95f71980-40
0.583
ALP-UNI-fe744232-2
0.582
ALP-POS-ced8ea4d-40
0.575
ALP-POS-ced8ea4d-35
0.574
ALP-POS-ced8ea4d-7
0.571
BRU-THA-92256091-42
0.562
ALP-POS-d0876c20-17
0.561
ALP-POS-ced8ea4d-64
0.557
ALP-POS-d0876c20-5
0.557
ALP-POS-ced8ea4d-48
0.556
BRU-THA-92256091-19
0.556
ALP-POS-ced8ea4d-54
0.556
ALP-POS-02c6a514-29
0.549
ALP-POS-b0bc6a46-18
0.549
ALP-POS-95f71980-30
0.543
ALP-POS-ced8ea4d-46
0.540
ALP-POS-d0876c20-14
0.538
WIL-UNI-354943b6-10
0.538
ALP-POS-ced8ea4d-6
0.536
ALP-POS-02c6a514-37
0.534
ALP-POS-b0bc6a46-22
0.534
ALP-POS-305f6ec3-48
0.534