Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCCC2(CCC2)C1 |
MW: | 489.25 |
Fraction sp3: | 0.43 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 90.98 |
cLogP: | 4.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-e980f4ea-22
0.768
ALP-POS-e980f4ea-13
0.768
BRU-THA-92256091-46
0.764
ALP-POS-e980f4ea-2
0.738
ALP-POS-e980f4ea-6
0.726
ALP-POS-ced8ea4d-61
0.725
ALP-POS-e980f4ea-14
0.724
ALP-POS-e980f4ea-45
0.717
ALP-POS-e980f4ea-56
0.710
ALP-POS-e980f4ea-66
0.705
ALP-POS-e980f4ea-57
0.700
ALP-POS-e980f4ea-55
0.682
ALP-POS-e980f4ea-43
0.679
ALP-POS-e980f4ea-42
0.673
BRU-THA-92256091-36
0.667
ALP-POS-e980f4ea-31
0.664
ALP-POS-e980f4ea-60
0.655
ALP-POS-e980f4ea-26
0.641
ALP-POS-e980f4ea-4
0.638
BRU-THA-92256091-34
0.634
ALP-POS-e980f4ea-23
0.628
ALP-POS-e980f4ea-29
0.625
ALP-POS-e980f4ea-3
0.614
ALP-POS-e980f4ea-33
0.600
ALP-POS-e980f4ea-63
0.593
BRU-THA-92256091-9
0.589
BRU-THA-92256091-13
0.589
BRU-THA-92256091-56
0.587
ALP-POS-e980f4ea-28
0.574
ALP-POS-e980f4ea-54
0.573
ALP-POS-e980f4ea-7
0.570
BRU-THA-92256091-10
0.569
ALP-POS-e980f4ea-64
0.569
BRU-THA-92256091-40
0.563
BRU-THA-92256091-38
0.560
ALP-POS-e980f4ea-41
0.558
ALP-POS-e980f4ea-58
0.557
ALP-POS-ced8ea4d-13
0.557
ALP-POS-ced8ea4d-22
0.557
BRU-THA-92256091-50
0.555
BRU-THA-92256091-33
0.551
BRU-THA-92256091-37
0.550
ALP-POS-e980f4ea-27
0.550
BRU-THA-92256091-1
0.547
BRU-THA-92256091-71
0.546
ALP-POS-e980f4ea-18
0.542
BRU-THA-92256091-49
0.542
ALP-POS-e980f4ea-17
0.542
ALP-POS-e980f4ea-37
0.539
ALP-POS-e980f4ea-62
0.538
ALP-POS-ced8ea4d-14
0.538
BRU-THA-92256091-48
0.537
ALP-POS-e980f4ea-9
0.535
ALP-POS-e980f4ea-19
0.535
BRU-THA-92256091-2
0.534
ALP-POS-e980f4ea-51
0.534
ALP-POS-e980f4ea-40
0.534
ALP-POS-e980f4ea-32
0.532
BRU-THA-92256091-69
0.529
BRU-THA-92256091-3
0.529
BRU-THA-92256091-25
0.529
ALP-POS-ced8ea4d-2
0.529
BRU-THA-92256091-5
0.529
BRU-THA-92256091-70
0.528
ALP-POS-e980f4ea-67
0.526
ALP-POS-e980f4ea-52
0.526
ALP-POS-e980f4ea-59
0.525
BRU-THA-92256091-81
0.525
BRU-THA-92256091-82
0.525
ALP-POS-e980f4ea-12
0.521
ALP-POS-e980f4ea-11
0.521
ALP-POS-e980f4ea-39
0.521
ALP-POS-e980f4ea-49
0.521
ALP-POS-e980f4ea-5
0.521
ALP-POS-ced8ea4d-66
0.521
ALP-POS-ced8ea4d-45
0.521
BRU-THA-92256091-4
0.520
ALP-POS-ced8ea4d-6
0.520
ALP-POS-e980f4ea-44
0.517
ALP-POS-e980f4ea-34
0.517
BRU-THA-92256091-39
0.517
BRU-THA-92256091-74
0.516
BRU-THA-92256091-72
0.516
ALP-POS-ced8ea4d-56
0.516
BRU-THA-92256091-29
0.516
ALP-POS-b0bc6a46-21
0.513
ALP-POS-02c6a514-36
0.513
ALP-POS-b0bc6a46-28
0.512
ALP-POS-e980f4ea-16
0.512
ALP-POS-02c6a514-47
0.512
ALP-POS-e980f4ea-35
0.512
ALP-POS-e980f4ea-25
0.512
ALP-POS-ced8ea4d-57
0.512
ALP-POS-b0bc6a46-4
0.508
ALP-POS-02c6a514-4
0.508
BRU-THA-92256091-89
0.508
ALP-POS-ced8ea4d-42
0.504
ALP-POS-e980f4ea-38
0.500
ALP-POS-e980f4ea-65
0.500
BRU-THA-92256091-73
0.500