Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCN(c2ccccc2F)C1 |
MW: | 530.22 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 94.22 |
cLogP: | 3.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
BRU-THA-92256091-90
0.779
ALP-POS-e980f4ea-31
0.766
ALP-POS-ced8ea4d-26
0.741
ALP-POS-e980f4ea-45
0.712
ALP-POS-e980f4ea-13
0.679
ALP-POS-e980f4ea-22
0.679
ALP-POS-e980f4ea-66
0.655
ALP-POS-e980f4ea-2
0.655
ALP-POS-e980f4ea-43
0.647
ALP-POS-e980f4ea-14
0.643
ALP-POS-e980f4ea-61
0.641
ALP-POS-e980f4ea-56
0.632
ALP-POS-e980f4ea-42
0.627
ALP-POS-e980f4ea-55
0.622
ALP-POS-e980f4ea-6
0.619
ALP-POS-e980f4ea-57
0.612
ALP-POS-e980f4ea-60
0.612
ALP-POS-e980f4ea-4
0.610
ALP-POS-e980f4ea-23
0.600
BRU-THA-92256091-89
0.597
ALP-POS-e980f4ea-3
0.587
ALP-POS-e980f4ea-33
0.587
ALP-POS-e980f4ea-29
0.583
ALP-POS-ced8ea4d-31
0.559
BRU-THA-92256091-33
0.553
ALP-POS-e980f4ea-54
0.547
BRU-THA-92256091-9
0.537
BRU-THA-92256091-13
0.537
ALP-POS-e980f4ea-28
0.534
ALP-POS-e980f4ea-7
0.530
ALP-POS-e980f4ea-64
0.530
ALP-POS-b0bc6a46-28
0.528
ALP-POS-02c6a514-47
0.528
BRU-THA-92256091-1
0.524
ALP-POS-e980f4ea-41
0.521
BRU-THA-92256091-10
0.520
BRU-THA-92256091-25
0.520
BRU-THA-92256091-36
0.520
ALP-POS-e980f4ea-63
0.516
BRU-THA-92256091-34
0.516
ALP-POS-e980f4ea-27
0.513
ALP-POS-e980f4ea-51
0.512
BRU-THA-92256091-2
0.512
BRU-THA-92256091-38
0.512
ALP-POS-ced8ea4d-45
0.512
BRU-THA-92256091-46
0.512
ALP-POS-e980f4ea-58
0.508
ALP-POS-ced8ea4d-13
0.508
ALP-POS-ced8ea4d-22
0.508
BRU-THA-92256091-3
0.508
BRU-THA-92256091-5
0.508
BRU-THA-92256091-69
0.508
BRU-THA-92256091-74
0.508
BRU-THA-92256091-29
0.508
BRU-THA-92256091-72
0.508
ALP-POS-e980f4ea-67
0.504
ALP-POS-e980f4ea-37
0.504
ALP-POS-b0bc6a46-21
0.504
ALP-POS-02c6a514-36
0.504
ALP-POS-e980f4ea-62
0.504
BRU-THA-92256091-40
0.504
ALP-POS-e980f4ea-35
0.504
ALP-POS-e980f4ea-19
0.500
BRU-THA-92256091-4
0.500
BRU-THA-92256091-71
0.500
ALP-POS-e980f4ea-9
0.500
ALP-POS-e980f4ea-40
0.500
ALP-POS-e980f4ea-39
0.500
ALP-POS-ced8ea4d-66
0.500
ALP-POS-e980f4ea-12
0.500
BRU-THA-92256091-70
0.496
ALP-POS-e980f4ea-18
0.496
ALP-POS-e980f4ea-17
0.496
BRU-THA-92256091-49
0.496
BRU-THA-92256091-50
0.496
BRU-THA-92256091-39
0.496
BRU-THA-92256091-73
0.492
ALP-POS-e980f4ea-65
0.492
BRU-THA-92256091-81
0.492
BRU-THA-92256091-82
0.492
ALP-POS-e980f4ea-59
0.492
ALP-POS-ced8ea4d-14
0.492
ALP-POS-e980f4ea-52
0.492
ALP-POS-e980f4ea-11
0.488
ALP-POS-e980f4ea-49
0.488
ALP-POS-e980f4ea-5
0.488
MIC-UNK-8686cf1d-4
0.485
ALP-POS-ced8ea4d-61
0.485
ALP-POS-e980f4ea-44
0.484
ALP-POS-ced8ea4d-2
0.484
BRU-THA-92256091-56
0.481
BRU-THA-92256091-48
0.481
BRU-THA-92256091-37
0.481
ALP-POS-ced8ea4d-43
0.481
ALP-POS-e980f4ea-38
0.481
ALP-POS-e980f4ea-16
0.481
BRU-THA-92256091-47
0.478
ALP-POS-e980f4ea-32
0.478
BRU-THA-92256091-45
0.477
ALP-POS-e980f4ea-47
0.477