Molecular Properties | |
SMILES: | COc1cc(N(C(=O)c2c[nH]cn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)ccc1S(=O)(=O)N(C)C |
MW: | 580.19 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 11 |
TPSA: | 137.59 |
cLogP: | 2.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
Hetero_hetero
MAT-POS-f2460aef-1
ALP-POS-ced8ea4d-50
0.796
ALP-POS-e980f4ea-50
0.761
BRU-THA-92256091-19
0.717
BRU-THA-92256091-42
0.703
BRU-THA-92256091-15
0.685
WIL-UNI-354943b6-10
0.679
MAT-POS-f2460aef-3
0.676
ALP-POS-1245c3fa-1
0.673
BRU-THA-92256091-24
0.673
BRU-THA-92256091-23
0.673
BRU-THA-92256091-8
0.670
ALP-POS-1245c3fa-2
0.670
BRU-THA-92256091-22
0.667
BRU-THA-92256091-14
0.667
BRU-THA-92256091-20
0.667
WIL-UNI-354943b6-2
0.664
BRU-THA-92256091-18
0.664
BRU-THA-92256091-31
0.658
BRU-THA-92256091-30
0.658
WIL-UNI-354943b6-14
0.655
BRU-THA-92256091-17
0.652
BRU-THA-92256091-16
0.652
BRU-THA-92256091-32
0.649
BRU-THA-92256091-65
0.647
BRU-THA-92256091-64
0.647
WIL-UNI-354943b6-5
0.646
BRU-THA-92256091-62
0.643
BRU-THA-92256091-59
0.638
BRU-THA-92256091-61
0.638
WIL-UNI-354943b6-3
0.637
WIL-UNI-354943b6-7
0.637
BRU-THA-92256091-54
0.636
BRU-THA-92256091-51
0.632
BRU-THA-92256091-21
0.632
BRU-THA-92256091-55
0.630
BRU-THA-92256091-52
0.627
BRU-THA-92256091-83
0.627
BRU-THA-92256091-60
0.627
WIL-UNI-354943b6-8
0.626
BRU-THA-92256091-80
0.626
BRU-THA-92256091-85
0.626
WIL-UNI-354943b6-12
0.626
BRU-THA-92256091-79
0.624
BRU-THA-92256091-67
0.622
BRU-THA-92256091-66
0.622
WIL-UNI-354943b6-9
0.621
BRU-THA-92256091-75
0.617
BRU-THA-92256091-68
0.617
BRU-THA-92256091-63
0.617
BRU-THA-92256091-92
0.617
WIL-UNI-354943b6-1
0.615
BRU-THA-92256091-78
0.615
BRU-THA-92256091-86
0.610
BRU-THA-92256091-76
0.610
BRU-THA-92256091-93
0.608
WIL-UNI-354943b6-4
0.605
WIL-UNI-354943b6-11
0.605
WIL-UNI-354943b6-13
0.605
WIL-UNI-354943b6-6
0.595
BRU-THA-92256091-77
0.591
BRU-THA-92256091-84
0.589
BRU-THA-92256091-12
0.588
BRU-THA-92256091-91
0.585
WIL-UNI-de614146-1
0.579
BRU-THA-92256091-11
0.568
BRU-THA-92256091-28
0.567
ALP-POS-ced8ea4d-19
0.564
ALP-POS-ced8ea4d-44
0.562
BRU-THA-92256091-88
0.561
BRU-THA-92256091-7
0.553
BRU-THA-92256091-43
0.548
ALP-POS-e980f4ea-19
0.538
ALP-UNI-fe744232-18
0.538
ALP-POS-b0bc6a46-18
0.537
ALP-POS-02c6a514-29
0.537
BRU-THA-92256091-4
0.536
ALP-POS-02c6a514-50
0.534
BRU-THA-92256091-6
0.534
ALP-POS-305f6ec3-14
0.534
ALP-POS-305f6ec3-33
0.533
BRU-THA-92256091-3
0.533
ALP-POS-95f71980-37
0.533
BRU-THA-92256091-5
0.533
BRU-THA-92256091-41
0.532
ALP-POS-ced8ea4d-9
0.529
ALP-POS-ced8ea4d-52
0.529
BRU-THA-92256091-37
0.528
PET-UNK-48ab5cd7-2
0.525
ALP-POS-ced8ea4d-27
0.525
BRU-THA-92256091-13
0.525
BRU-THA-92256091-27
0.525
BRU-THA-92256091-2
0.525
BRU-THA-92256091-9
0.525
ALP-POS-95f71980-36
0.525
WIL-UNI-de614146-11
0.524
ALP-POS-ced8ea4d-38
0.524
ALP-POS-ced8ea4d-20
0.524
ALP-POS-02c6a514-37
0.521
ALP-POS-b0bc6a46-22
0.521
ALP-POS-ced8ea4d-28
0.521