Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(Cc1cccnc1)C(=O)c1cnc[nH]1 |
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
ALP-POS-e980f4ea-64
0.845
ALP-POS-e980f4ea-41
0.778
ALP-POS-e980f4ea-40
0.737
ALP-POS-e980f4ea-48
0.724
ALP-POS-e980f4ea-46
0.722
BRU-THA-92256091-11
0.719
ALP-POS-ced8ea4d-7
0.667
ALP-POS-e980f4ea-28
0.656
ALP-POS-e980f4ea-54
0.653
ALP-POS-e980f4ea-27
0.642
ALP-POS-e980f4ea-9
0.622
ALP-POS-e980f4ea-19
0.622
ALP-POS-e980f4ea-13
0.622
ALP-POS-e980f4ea-22
0.622
ALP-POS-e980f4ea-39
0.620
ALP-POS-e980f4ea-58
0.614
ALP-POS-e980f4ea-52
0.610
ALP-POS-e980f4ea-37
0.610
ALP-POS-e980f4ea-67
0.610
BRU-THA-92256091-7
0.608
ALP-POS-e980f4ea-49
0.604
ALP-POS-e980f4ea-5
0.604
ALP-POS-e980f4ea-51
0.604
ALP-POS-e980f4ea-12
0.604
ALP-POS-e980f4ea-11
0.604
ALP-POS-e980f4ea-2
0.598
ALP-POS-e980f4ea-66
0.598
KHR-WEI-75c61062-1
0.598
ALP-POS-b0bc6a46-2
0.594
ALP-POS-02c6a514-2
0.594
ALP-POS-e980f4ea-63
0.592
ALP-POS-e980f4ea-62
0.592
ALP-POS-e980f4ea-35
0.589
ALP-POS-e980f4ea-14
0.587
ALP-POS-e980f4ea-33
0.585
ALP-POS-e980f4ea-44
0.581
ALP-POS-e980f4ea-45
0.581
ALP-POS-e980f4ea-34
0.581
ALP-POS-e980f4ea-29
0.581
ALP-POS-e980f4ea-24
0.579
ALP-POS-e980f4ea-21
0.579
ALP-POS-e980f4ea-59
0.575
ALP-POS-e980f4ea-43
0.575
ALP-POS-e980f4ea-6
0.575
ALP-POS-e980f4ea-56
0.575
ALP-POS-e980f4ea-38
0.575
ALP-POS-e980f4ea-16
0.575
ALP-POS-e980f4ea-36
0.574
BRU-THA-92256091-27
0.573
ALP-POS-e980f4ea-61
0.570
ALP-POS-e980f4ea-42
0.570
ALP-POS-e980f4ea-3
0.570
ALP-POS-e980f4ea-23
0.570
ALP-POS-e980f4ea-20
0.565
ALP-POS-e980f4ea-17
0.565
ALP-POS-e980f4ea-8
0.565
ALP-POS-e980f4ea-10
0.565
ALP-POS-e980f4ea-18
0.565
ALP-POS-e980f4ea-55
0.565
ALP-POS-ced8ea4d-64
0.564
ALP-POS-e980f4ea-53
0.560
ALP-POS-e980f4ea-65
0.560
ALP-POS-e980f4ea-60
0.555
ALP-POS-e980f4ea-15
0.555
ALP-POS-e980f4ea-57
0.555
ALP-POS-e980f4ea-50
0.555
ALP-POS-e980f4ea-47
0.555
ALP-POS-e980f4ea-4
0.554
ALP-POS-02c6a514-8
0.552
ALP-POS-b0bc6a46-7
0.552
ALP-POS-e980f4ea-31
0.550
BRU-THA-92256091-28
0.546
ALP-POS-e980f4ea-25
0.545
BRU-THA-92256091-43
0.541
ALP-POS-e980f4ea-32
0.540
ALP-POS-ced8ea4d-41
0.538
KHR-WEI-75c61062-2
0.537
BRU-THA-92256091-41
0.536
ALP-POS-e980f4ea-1
0.535
ALP-POS-e980f4ea-26
0.530
ALP-POS-e980f4ea-30
0.530
MIC-UNK-8686cf1d-9
0.524
ALP-POS-02c6a514-52
0.519
ALP-POS-305f6ec3-59
0.519
ALP-POS-b0bc6a46-10
0.518
ALP-POS-02c6a514-35
0.518
ALP-POS-b0bc6a46-20
0.518
ALP-POS-02c6a514-16
0.518
BRU-THA-92256091-87
0.518
BRU-THA-92256091-8
0.515
BRU-THA-92256091-22
0.514
PET-UNK-7d68125a-1
0.514
PET-UNK-48ab5cd7-2
0.514
ALP-POS-ced8ea4d-40
0.514
ALF-EVA-719172df-6
0.510
BRU-THA-92256091-6
0.509
ALP-POS-ced8ea4d-48
0.509
JOE-NOR-4e4adc6b-1
0.505
ALP-POS-1245c3fa-1
0.505
BRU-THA-92256091-24
0.505