Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)C1CCN(c2ccccc2F)C1 |
MW: | 531.21 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 91.57 |
cLogP: | 4.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
BRU-THA-92256091-90
0.812
ALP-POS-ced8ea4d-31
0.770
ALP-POS-e980f4ea-26
0.741
ALP-POS-ced8ea4d-45
0.717
ALP-POS-ced8ea4d-13
0.688
ALP-POS-ced8ea4d-22
0.688
ALP-POS-ced8ea4d-66
0.675
ALP-POS-ced8ea4d-2
0.670
ALP-POS-ced8ea4d-14
0.664
ALP-POS-ced8ea4d-43
0.661
ALP-POS-ced8ea4d-56
0.653
ALP-POS-ced8ea4d-61
0.650
ALP-POS-ced8ea4d-55
0.636
ALP-POS-ced8ea4d-42
0.636
ALP-POS-ced8ea4d-57
0.631
ALP-POS-ced8ea4d-6
0.628
ALP-POS-ced8ea4d-60
0.626
BRU-THA-92256091-89
0.626
ALP-POS-ced8ea4d-4
0.616
ALP-POS-ced8ea4d-33
0.607
ALP-POS-ced8ea4d-23
0.605
ALP-POS-ced8ea4d-29
0.598
ALP-POS-ced8ea4d-3
0.592
BRU-THA-92256091-33
0.582
ALP-POS-ced8ea4d-7
0.574
ALP-POS-ced8ea4d-64
0.573
ALP-POS-e980f4ea-31
0.559
ALP-POS-ced8ea4d-54
0.558
ALP-POS-ced8ea4d-28
0.551
ALP-POS-ced8ea4d-41
0.549
ALP-POS-95f71980-13
0.545
ALP-POS-95f71980-14
0.541
BRU-THA-92256091-13
0.541
BRU-THA-92256091-9
0.541
BRU-THA-92256091-2
0.541
ALP-POS-ced8ea4d-63
0.540
BRU-THA-92256091-1
0.540
BRU-THA-92256091-10
0.536
BRU-THA-92256091-25
0.536
BRU-THA-92256091-3
0.536
BRU-THA-92256091-5
0.536
BRU-THA-92256091-29
0.535
ALP-POS-02c6a514-47
0.532
ALP-POS-b0bc6a46-28
0.532
ALP-POS-ced8ea4d-27
0.529
BRU-THA-92256091-38
0.528
ALP-POS-ced8ea4d-51
0.528
ALP-POS-ced8ea4d-40
0.528
ALP-POS-02c6a514-50
0.525
ALP-POS-95f71980-9
0.525
ALP-POS-ced8ea4d-37
0.524
ALP-POS-ced8ea4d-67
0.524
ALP-POS-ced8ea4d-62
0.524
BRU-THA-92256091-39
0.524
BRU-THA-92256091-69
0.524
BRU-THA-92256091-50
0.523
BRU-THA-92256091-49
0.523
ALP-POS-ced8ea4d-9
0.520
ALP-POS-ced8ea4d-39
0.520
ALP-POS-ced8ea4d-58
0.520
BRU-THA-92256091-34
0.520
BRU-THA-92256091-40
0.519
ALP-UNI-fe744232-18
0.516
ALP-POS-ced8ea4d-19
0.516
ALP-POS-ced8ea4d-12
0.516
ALP-POS-95f71980-1
0.516
ALP-POS-95f71980-36
0.516
BRU-THA-92256091-71
0.516
ALP-UNI-fe744232-17
0.516
ALP-POS-ced8ea4d-35
0.515
BRU-THA-92256091-46
0.515
ALP-POS-ced8ea4d-17
0.515
BRU-THA-92256091-4
0.515
ALP-UNI-fe744232-3
0.512
ALP-POS-95f71980-39
0.512
ALP-POS-95f71980-5
0.512
ALP-POS-e980f4ea-45
0.512
BRU-THA-92256091-72
0.512
BRU-THA-92256091-74
0.512
ALP-POS-ced8ea4d-59
0.512
ALP-POS-95f71980-40
0.512
BRU-THA-92256091-36
0.512
ALP-POS-95f71980-10
0.511
BRU-THA-92256091-70
0.511
ALP-POS-ced8ea4d-49
0.508
ALP-POS-ced8ea4d-52
0.508
ALP-POS-ced8ea4d-5
0.508
ALP-POS-ced8ea4d-11
0.508
ALP-POS-95f71980-16
0.508
ALP-UNI-fe744232-14
0.508
ALP-UNI-fe744232-15
0.508
ALP-UNI-fe744232-22
0.508
ALP-UNI-fe744232-30
0.508
ALP-POS-ced8ea4d-46
0.508
BRU-THA-92256091-82
0.508
BRU-THA-92256091-81
0.508
BRU-THA-92256091-73
0.508
ALP-POS-95f71980-28
0.508
ALP-POS-95f71980-34
0.508
ALP-UNI-fe744232-13
0.508