Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(Cc1ccccc1)C(=O)c1cnc[nH]1 |
MW: | 457.19 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 90.98 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-e980f4ea-7
0.845
ALP-POS-e980f4ea-41
0.772
ALP-POS-e980f4ea-40
0.732
BRU-THA-92256091-7
0.728
ALP-POS-02c6a514-2
0.714
ALP-POS-b0bc6a46-2
0.714
ALP-POS-e980f4ea-28
0.707
ALP-POS-e980f4ea-46
0.700
ALP-POS-e980f4ea-48
0.686
ALP-POS-e980f4ea-54
0.684
ALP-POS-ced8ea4d-64
0.677
ALP-POS-e980f4ea-27
0.639
ALP-POS-e980f4ea-9
0.620
ALP-POS-e980f4ea-19
0.620
ALP-POS-e980f4ea-35
0.617
ALP-POS-e980f4ea-58
0.612
BRU-THA-92256091-11
0.608
ALP-POS-e980f4ea-67
0.608
ALP-POS-e980f4ea-52
0.608
ALP-POS-e980f4ea-13
0.604
ALP-POS-e980f4ea-22
0.604
ALP-POS-e980f4ea-5
0.602
ALP-POS-e980f4ea-12
0.602
ALP-POS-e980f4ea-11
0.602
ALP-POS-e980f4ea-51
0.602
ALP-POS-e980f4ea-55
0.593
ALP-POS-e980f4ea-37
0.592
ALP-POS-e980f4ea-62
0.590
ALP-POS-e980f4ea-49
0.587
ALP-POS-e980f4ea-39
0.587
ALP-POS-e980f4ea-2
0.581
ALP-POS-e980f4ea-66
0.581
ALP-POS-e980f4ea-29
0.579
ALP-POS-e980f4ea-31
0.577
ALP-POS-e980f4ea-63
0.575
ALP-POS-e980f4ea-16
0.574
BRU-THA-92256091-27
0.571
ALP-POS-e980f4ea-14
0.570
ALP-POS-e980f4ea-3
0.569
ALP-POS-e980f4ea-61
0.569
ALP-POS-e980f4ea-23
0.569
ALP-POS-e980f4ea-34
0.565
ALP-POS-e980f4ea-44
0.565
ALP-POS-e980f4ea-45
0.565
ALP-POS-ced8ea4d-7
0.564
ALP-POS-e980f4ea-8
0.564
ALP-POS-e980f4ea-18
0.564
ALP-POS-e980f4ea-17
0.564
ALP-POS-e980f4ea-24
0.564
KHR-WEI-75c61062-1
0.562
ALP-POS-e980f4ea-43
0.560
ALP-POS-e980f4ea-38
0.560
ALP-POS-e980f4ea-59
0.560
ALP-POS-e980f4ea-56
0.560
ALP-POS-e980f4ea-6
0.560
BRU-THA-92256091-8
0.559
ALP-POS-e980f4ea-36
0.559
ALP-POS-e980f4ea-33
0.555
ALP-POS-e980f4ea-42
0.555
ALP-POS-e980f4ea-4
0.553
BRU-THA-92256091-6
0.552
ALP-POS-e980f4ea-10
0.550
ALP-POS-e980f4ea-20
0.550
ALP-POS-e980f4ea-21
0.550
BRU-THA-92256091-28
0.545
ALP-POS-e980f4ea-53
0.545
ALP-POS-e980f4ea-65
0.545
ALP-POS-e980f4ea-50
0.540
ALP-POS-e980f4ea-47
0.540
ALP-POS-e980f4ea-15
0.540
ALP-POS-e980f4ea-60
0.540
ALP-POS-e980f4ea-57
0.540
ALP-POS-02c6a514-11
0.539
ALP-POS-e980f4ea-32
0.539
ALP-POS-b0bc6a46-7
0.537
ALP-POS-02c6a514-8
0.537
ALP-POS-ced8ea4d-41
0.537
ALP-POS-e980f4ea-25
0.530
ALP-POS-e980f4ea-26
0.530
ALP-POS-ced8ea4d-28
0.524
BRU-THA-92256091-41
0.522
ALP-POS-e980f4ea-1
0.521
KHR-WEI-75c61062-2
0.520
ALP-POS-305f6ec3-59
0.519
ALP-POS-02c6a514-16
0.518
ALP-POS-b0bc6a46-10
0.518
BRU-THA-92256091-87
0.517
ALP-POS-e980f4ea-30
0.517
PET-UNK-48ab5cd7-2
0.514
ALP-POS-ced8ea4d-40
0.513
BRU-THA-92256091-43
0.513
MIC-UNK-8686cf1d-9
0.509
ALP-POS-1245c3fa-1
0.505
BRU-THA-92256091-24
0.505
JOE-NOR-4e4adc6b-1
0.505
ALP-POS-02c6a514-52
0.505
ALP-POS-ced8ea4d-54
0.505
ALP-POS-b0bc6a46-20
0.504
ALP-POS-02c6a514-35
0.504
BRU-THA-92256091-21
0.500