Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(Cc1cccnc1)C(=O)c1c[nH]cn1 |
MW: | 458.19 |
Fraction sp3: | 0.16 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 103.87 |
cLogP: | 3.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-7
0.847
BRU-THA-92256091-27
0.791
ALP-POS-ced8ea4d-7
0.753
BRU-THA-92256091-28
0.750
BRU-THA-92256091-43
0.737
BRU-THA-92256091-41
0.735
ALP-POS-e980f4ea-7
0.719
BRU-THA-92256091-87
0.706
BRU-THA-92256091-8
0.670
BRU-THA-92256091-22
0.667
BRU-THA-92256091-6
0.660
ALP-POS-1245c3fa-1
0.656
BRU-THA-92256091-24
0.656
BRU-THA-92256091-15
0.653
WIL-UNI-354943b6-2
0.646
MAT-POS-f2460aef-3
0.643
BRU-THA-92256091-30
0.640
ALP-POS-ced8ea4d-64
0.639
BRU-THA-92256091-19
0.636
ALP-POS-1245c3fa-2
0.636
WIL-UNI-354943b6-3
0.634
BRU-THA-92256091-13
0.630
BRU-THA-92256091-2
0.630
WIL-UNI-354943b6-10
0.630
BRU-THA-92256091-9
0.630
BRU-THA-92256091-18
0.630
BRU-THA-92256091-32
0.630
BRU-THA-92256091-21
0.627
BRU-THA-92256091-23
0.624
BRU-THA-92256091-31
0.624
BRU-THA-92256091-5
0.621
BRU-THA-92256091-80
0.621
BRU-THA-92256091-39
0.621
BRU-THA-92256091-3
0.621
BRU-THA-92256091-26
0.621
BRU-THA-92256091-16
0.618
BRU-THA-92256091-17
0.618
WIL-UNI-354943b6-7
0.618
BRU-THA-92256091-14
0.618
BRU-THA-92256091-20
0.618
BRU-THA-92256091-1
0.612
BRU-THA-92256091-75
0.612
WIL-UNI-354943b6-5
0.612
BRU-THA-92256091-38
0.612
BRU-THA-92256091-35
0.610
BRU-THA-92256091-62
0.610
ALP-POS-e980f4ea-64
0.608
BRU-THA-92256091-88
0.607
BRU-THA-92256091-69
0.606
BRU-THA-92256091-10
0.606
BRU-THA-92256091-85
0.606
WIL-UNI-354943b6-8
0.606
WIL-UNI-354943b6-12
0.606
WIL-UNI-354943b6-14
0.606
BRU-THA-92256091-25
0.606
BRU-THA-92256091-74
0.604
BRU-THA-92256091-57
0.604
BRU-THA-92256091-79
0.604
BRU-THA-92256091-72
0.604
BRU-THA-92256091-67
0.602
WIL-UNI-354943b6-9
0.600
BRU-THA-92256091-33
0.600
BRU-THA-92256091-34
0.600
BRU-THA-92256091-51
0.598
BRU-THA-92256091-12
0.594
BRU-THA-92256091-71
0.594
WIL-UNI-354943b6-1
0.594
BRU-THA-92256091-42
0.594
BRU-THA-92256091-52
0.593
BRU-THA-92256091-45
0.593
ALP-POS-ced8ea4d-41
0.592
KHR-WEI-75c61062-1
0.591
BRU-THA-92256091-91
0.591
BRU-THA-92256091-49
0.589
BRU-THA-92256091-36
0.589
BRU-THA-92256091-86
0.589
BRU-THA-92256091-29
0.589
BRU-THA-92256091-50
0.589
BRU-THA-92256091-59
0.589
BRU-THA-92256091-61
0.589
ALP-POS-02c6a514-2
0.588
ALP-POS-b0bc6a46-2
0.588
BRU-THA-92256091-37
0.583
BRU-THA-92256091-82
0.583
BRU-THA-92256091-65
0.583
BRU-THA-92256091-81
0.583
WIL-UNI-354943b6-4
0.583
WIL-UNI-354943b6-11
0.583
WIL-UNI-354943b6-13
0.583
BRU-THA-92256091-40
0.583
BRU-THA-92256091-64
0.583
BRU-THA-92256091-68
0.582
ALP-POS-e980f4ea-41
0.578
BRU-THA-92256091-83
0.578
BRU-THA-92256091-46
0.578
BRU-THA-92256091-53
0.578
BRU-THA-92256091-4
0.578
BRU-THA-92256091-60
0.578
BRU-THA-92256091-54
0.573
BRU-THA-92256091-70
0.573