Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)C1CCC2OCCC2C1 |
MW: | 491.23 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 100.21 |
cLogP: | 3.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
MAT-POS-f2460aef-1
ALP-POS-ced8ea4d-60
0.798
BRU-THA-92256091-69
0.774
ALP-POS-e980f4ea-60
0.771
BRU-THA-92256091-29
0.769
BRU-THA-92256091-71
0.743
BRU-THA-92256091-39
0.741
BRU-THA-92256091-2
0.736
BRU-THA-92256091-70
0.732
BRU-THA-92256091-38
0.731
BRU-THA-92256091-3
0.725
BRU-THA-92256091-5
0.725
BRU-THA-92256091-1
0.716
BRU-THA-92256091-10
0.709
BRU-THA-92256091-9
0.704
BRU-THA-92256091-13
0.704
BRU-THA-92256091-4
0.693
BRU-THA-92256091-49
0.690
BRU-THA-92256091-25
0.679
BRU-THA-92256091-50
0.675
BRU-THA-92256091-33
0.673
BRU-THA-92256091-34
0.673
BRU-THA-92256091-40
0.670
BRU-THA-92256091-81
0.670
BRU-THA-92256091-82
0.670
BRU-THA-92256091-36
0.661
BRU-THA-92256091-74
0.661
BRU-THA-92256091-72
0.661
BRU-THA-92256091-37
0.655
BRU-THA-92256091-48
0.653
BRU-THA-92256091-56
0.650
BRU-THA-92256091-46
0.650
BRU-THA-92256091-73
0.639
BRU-THA-92256091-58
0.636
BRU-THA-92256091-89
0.633
BRU-THA-92256091-57
0.619
BRU-THA-92256091-90
0.618
ALP-POS-ced8ea4d-43
0.613
BRU-THA-92256091-35
0.597
BRU-THA-92256091-53
0.595
BRU-THA-92256091-45
0.595
ALP-POS-e980f4ea-43
0.588
ALP-POS-ced8ea4d-2
0.580
ALP-POS-ced8ea4d-42
0.577
ALP-POS-e980f4ea-42
0.570
BRU-THA-92256091-11
0.562
ALP-POS-ced8ea4d-14
0.562
ALP-POS-ced8ea4d-66
0.558
BRU-THA-92256091-6
0.556
ALP-POS-ced8ea4d-13
0.555
ALP-POS-ced8ea4d-22
0.555
ALP-POS-e980f4ea-2
0.555
BRU-THA-92256091-7
0.548
BRU-THA-92256091-8
0.548
BRU-THA-92256091-32
0.546
ALP-POS-e980f4ea-14
0.545
BRU-THA-92256091-75
0.545
ALP-POS-ced8ea4d-45
0.545
BRU-THA-92256091-91
0.543
ALP-POS-e980f4ea-66
0.542
BRU-THA-92256091-80
0.541
ALP-POS-ced8ea4d-56
0.540
ALP-POS-ced8ea4d-55
0.540
WIL-UNI-354943b6-6
0.540
ALP-POS-1245c3fa-1
0.538
BRU-THA-92256091-24
0.538
ALP-POS-1245c3fa-2
0.538
WIL-UNI-354943b6-4
0.536
ALP-POS-e980f4ea-22
0.534
ALP-POS-e980f4ea-13
0.534
BRU-THA-92256091-22
0.534
BRU-THA-92256091-27
0.533
MAT-POS-f2460aef-3
0.529
WIL-UNI-354943b6-12
0.528
BRU-THA-92256091-26
0.528
BRU-THA-92256091-79
0.528
BRU-THA-92256091-15
0.525
BRU-THA-92256091-19
0.525
WIL-UNI-354943b6-3
0.525
ALP-POS-e980f4ea-56
0.524
BRU-THA-92256091-84
0.523
BRU-THA-92256091-18
0.521
WIL-UNI-354943b6-2
0.521
WIL-UNI-354943b6-10
0.521
BRU-THA-92256091-83
0.520
ALP-POS-ced8ea4d-6
0.520
BRU-THA-92256091-52
0.520
BRU-THA-92256091-30
0.516
BRU-THA-92256091-31
0.516
BRU-THA-92256091-23
0.516
ALP-POS-e980f4ea-45
0.516
WIL-UNI-354943b6-8
0.516
ALP-POS-e980f4ea-55
0.516
BRU-THA-92256091-54
0.516
ALP-POS-ced8ea4d-61
0.516
WIL-UNI-354943b6-7
0.512
BRU-THA-92256091-16
0.512
BRU-THA-92256091-17
0.512
ALP-POS-b0bc6a46-21
0.512
BRU-THA-92256091-14
0.512
BRU-THA-92256091-20
0.512