Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCCCCC1 |
MW: | 463.24 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 90.98 |
cLogP: | 4.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-e980f4ea-13
0.976
ALP-POS-e980f4ea-2
0.809
ALP-POS-e980f4ea-14
0.792
ALP-POS-e980f4ea-45
0.784
ALP-POS-e980f4ea-56
0.776
ALP-POS-e980f4ea-66
0.771
ALP-POS-e980f4ea-61
0.768
BRU-THA-92256091-13
0.742
ALP-POS-e980f4ea-43
0.740
ALP-POS-e980f4ea-42
0.733
ALP-POS-e980f4ea-57
0.728
BRU-THA-92256091-9
0.724
ALP-POS-e980f4ea-6
0.723
ALP-POS-e980f4ea-60
0.712
ALP-POS-e980f4ea-55
0.709
ALP-POS-e980f4ea-31
0.705
ALP-POS-ced8ea4d-22
0.700
ALP-POS-e980f4ea-4
0.692
ALP-POS-ced8ea4d-13
0.683
ALP-POS-e980f4ea-23
0.683
ALP-POS-e980f4ea-26
0.679
ALP-POS-e980f4ea-3
0.667
ALP-POS-e980f4ea-29
0.663
ALP-POS-e980f4ea-33
0.651
ALP-POS-e980f4ea-63
0.629
ALP-POS-e980f4ea-7
0.622
BRU-THA-92256091-10
0.617
ALP-POS-e980f4ea-28
0.610
ALP-POS-e980f4ea-54
0.608
BRU-THA-92256091-38
0.607
ALP-POS-e980f4ea-41
0.606
ALP-POS-e980f4ea-64
0.604
ALP-POS-e980f4ea-17
0.600
ALP-POS-e980f4ea-27
0.598
BRU-THA-92256091-33
0.596
ALP-POS-e980f4ea-9
0.596
BRU-THA-92256091-1
0.593
BRU-THA-92256091-71
0.591
BRU-THA-92256091-46
0.589
BRU-THA-92256091-25
0.587
BRU-THA-92256091-36
0.586
ALP-POS-e980f4ea-37
0.585
ALP-POS-e980f4ea-62
0.583
ALP-POS-ced8ea4d-14
0.582
ALP-POS-e980f4ea-19
0.581
ALP-POS-e980f4ea-11
0.579
BRU-THA-92256091-2
0.579
ALP-POS-e980f4ea-58
0.574
ALP-POS-ced8ea4d-2
0.573
BRU-THA-92256091-5
0.573
BRU-THA-92256091-69
0.573
BRU-THA-92256091-3
0.573
BRU-THA-92256091-49
0.571
BRU-THA-92256091-50
0.571
ALP-POS-e980f4ea-52
0.570
ALP-POS-e980f4ea-67
0.570
ALP-POS-e980f4ea-59
0.568
BRU-THA-92256091-34
0.568
BRU-THA-92256091-40
0.566
ALP-POS-e980f4ea-5
0.565
ALP-POS-e980f4ea-12
0.565
ALP-POS-e980f4ea-49
0.565
ALP-POS-e980f4ea-51
0.565
ALP-POS-e980f4ea-39
0.565
ALP-POS-ced8ea4d-66
0.564
ALP-POS-ced8ea4d-45
0.562
BRU-THA-92256091-39
0.559
BRU-THA-92256091-74
0.558
ALP-POS-e980f4ea-18
0.558
BRU-THA-92256091-29
0.558
BRU-THA-92256091-72
0.558
ALP-POS-ced8ea4d-61
0.557
BRU-THA-92256091-70
0.557
ALP-POS-02c6a514-36
0.555
ALP-POS-b0bc6a46-21
0.555
ALP-POS-b0bc6a46-28
0.554
ALP-POS-02c6a514-47
0.554
ALP-POS-e980f4ea-65
0.553
BRU-THA-92256091-48
0.552
ALP-POS-e980f4ea-40
0.550
BRU-THA-92256091-4
0.548
ALP-POS-e980f4ea-32
0.547
ALP-POS-e980f4ea-34
0.545
ALP-POS-e980f4ea-44
0.545
ALP-POS-e980f4ea-10
0.544
ALP-POS-ced8ea4d-56
0.544
MIC-UNK-8686cf1d-4
0.543
ALP-POS-e980f4ea-16
0.540
MIC-UNK-8686cf1d-3
0.540
ALP-POS-e980f4ea-46
0.540
ALP-POS-e980f4ea-38
0.540
BRU-THA-92256091-82
0.539
ALP-POS-e980f4ea-36
0.539
ALP-POS-e980f4ea-35
0.539
BRU-THA-92256091-81
0.539
ALP-POS-e980f4ea-53
0.539
BRU-THA-92256091-37
0.539
ALP-POS-e980f4ea-25
0.538
BRU-THA-92256091-73
0.538
ALP-POS-e980f4ea-47
0.534