Molecular Properties | |
SMILES: | Cc1nc2ccc(N(C(=O)c3cnc[nH]3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc2o1 |
MW: | 498.18 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 117.01 |
cLogP: | 4.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
BRU-THA-92256091-67
0.766
ALP-POS-ced8ea4d-21
0.734
ALP-POS-e980f4ea-27
0.713
ALP-POS-e980f4ea-28
0.693
ALP-POS-e980f4ea-19
0.676
ALP-POS-e980f4ea-18
0.676
ALP-POS-e980f4ea-53
0.670
ALP-POS-e980f4ea-65
0.670
ALP-POS-e980f4ea-44
0.664
ALP-POS-e980f4ea-24
0.661
ALP-POS-e980f4ea-20
0.661
ALP-POS-e980f4ea-9
0.660
ALP-POS-e980f4ea-38
0.658
ALP-POS-e980f4ea-5
0.657
ALP-POS-e980f4ea-47
0.649
ALP-POS-e980f4ea-67
0.648
ALP-POS-e980f4ea-52
0.648
ALP-POS-e980f4ea-37
0.648
ALP-POS-e980f4ea-8
0.646
ALP-POS-e980f4ea-10
0.646
ALP-POS-e980f4ea-62
0.645
ALP-POS-e980f4ea-59
0.643
ALP-POS-e980f4ea-51
0.642
ALP-POS-e980f4ea-11
0.642
ALP-POS-e980f4ea-49
0.642
ALP-POS-e980f4ea-39
0.642
ALP-POS-e980f4ea-12
0.642
ALP-POS-e980f4ea-36
0.640
ALP-POS-e980f4ea-1
0.627
ALP-POS-e980f4ea-25
0.624
ALP-POS-e980f4ea-50
0.621
ALP-POS-e980f4ea-63
0.616
ALP-POS-e980f4ea-16
0.614
ALP-POS-e980f4ea-15
0.607
ALP-POS-e980f4ea-17
0.603
BRU-THA-92256091-68
0.597
ALP-POS-e980f4ea-30
0.593
ALP-POS-e980f4ea-32
0.592
ALP-POS-e980f4ea-7
0.579
ALP-POS-e980f4ea-34
0.578
ALP-POS-e980f4ea-64
0.550
ALP-POS-e980f4ea-35
0.545
ALP-POS-e980f4ea-54
0.540
ALP-POS-e980f4ea-41
0.539
ALP-POS-305f6ec3-59
0.535
BRU-THA-92256091-24
0.535
ALP-POS-e980f4ea-43
0.533
ALP-POS-e980f4ea-22
0.530
ALP-POS-e980f4ea-13
0.530
ALP-POS-e980f4ea-58
0.525
ALP-POS-e980f4ea-66
0.525
ALP-POS-e980f4ea-45
0.525
ALP-POS-02c6a514-52
0.522
BRU-THA-92256091-63
0.520
BRU-THA-92256091-8
0.518
PET-UNK-48ab5cd7-2
0.517
ALP-POS-ced8ea4d-27
0.517
ALP-POS-305f6ec3-52
0.517
ALP-POS-e980f4ea-14
0.517
ALP-POS-e980f4ea-33
0.516
BRU-THA-92256091-62
0.516
ALF-EVA-719172df-6
0.513
ALP-POS-b0bc6a46-22
0.513
ALP-POS-02c6a514-37
0.513
ALP-POS-305f6ec3-6
0.513
MAT-POS-f2460aef-4
0.513
ALP-POS-02c6a514-7
0.513
ALP-POS-e980f4ea-2
0.513
ALP-POS-b0bc6a46-6
0.513
ALP-POS-e980f4ea-29
0.512
BRU-THA-92256091-66
0.512
ALP-POS-ced8ea4d-18
0.512
ALP-POS-02c6a514-38
0.509
ALP-POS-b0bc6a46-23
0.509
ALP-POS-1245c3fa-1
0.509
ALP-POS-02c6a514-12
0.509
ALP-POS-95f71980-6
0.508
BRU-THA-92256091-19
0.508
ALP-POS-e980f4ea-46
0.508
ALP-POS-e980f4ea-56
0.508
LON-WEI-2e27a2e5-2
0.504
MAT-POS-f2460aef-2
0.504
MAT-POS-f2460aef-1
0.504
LON-WEI-2e27a2e5-1
0.504
ALP-POS-95f71980-21
0.504
ALP-POS-02c6a514-22
0.504
ALP-POS-305f6ec3-44
0.504
BRU-THA-92256091-22
0.504
ALP-POS-305f6ec3-39
0.504
ALP-POS-e980f4ea-40
0.504
ALP-POS-e980f4ea-3
0.504
ALP-POS-e980f4ea-23
0.504
ALP-POS-e980f4ea-42
0.504
PAU-WEI-5b8d5051-2
0.500
ALP-POS-02c6a514-11
0.500
ALP-POS-02c6a514-6
0.500
BRU-THA-92256091-59
0.500
BRU-THA-92256091-54
0.500
ALP-POS-95f71980-2
0.500
ALP-POS-95f71980-22
0.500