Molecular Properties | |
SMILES: | Cn1ccc2cc(N(C(=O)c3cnc[nH]3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)ccc21 |
MW: | 496.2 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 95.91 |
cLogP: | 4.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
BRU-THA-92256091-65
0.764
ALP-POS-e980f4ea-8
0.755
ALP-POS-ced8ea4d-20
0.725
ALP-POS-e980f4ea-10
0.722
ALP-POS-e980f4ea-38
0.704
ALP-POS-e980f4ea-27
0.680
ALP-POS-e980f4ea-28
0.676
ALP-POS-e980f4ea-19
0.676
ALP-POS-e980f4ea-44
0.664
ALP-POS-e980f4ea-18
0.661
ALP-POS-e980f4ea-21
0.661
ALP-POS-e980f4ea-9
0.660
ALP-POS-e980f4ea-11
0.657
ALP-POS-e980f4ea-12
0.657
ALP-POS-e980f4ea-65
0.655
ALP-POS-e980f4ea-67
0.648
ALP-POS-e980f4ea-52
0.648
ALP-POS-e980f4ea-37
0.648
ALP-POS-e980f4ea-16
0.643
ALP-POS-e980f4ea-39
0.642
ALP-POS-e980f4ea-49
0.642
ALP-POS-e980f4ea-51
0.642
ALP-POS-e980f4ea-5
0.642
ALP-POS-e980f4ea-36
0.640
ALP-POS-e980f4ea-50
0.635
ALP-POS-e980f4ea-24
0.632
ALP-POS-e980f4ea-62
0.631
ALP-POS-e980f4ea-59
0.628
ALP-POS-e980f4ea-1
0.627
ALP-POS-e980f4ea-53
0.626
ALP-POS-e980f4ea-25
0.624
ALP-POS-e980f4ea-47
0.621
ALP-POS-e980f4ea-15
0.621
ALP-POS-e980f4ea-63
0.616
ALP-POS-e980f4ea-17
0.603
BRU-THA-92256091-64
0.598
ALP-POS-e980f4ea-30
0.593
BRU-THA-92256091-60
0.580
ALP-POS-e980f4ea-32
0.579
ALP-POS-e980f4ea-34
0.578
ALP-POS-e980f4ea-7
0.565
ALP-POS-e980f4ea-35
0.558
ALP-POS-e980f4ea-45
0.551
BRU-THA-92256091-61
0.550
ALP-POS-e980f4ea-64
0.550
ALP-POS-ced8ea4d-8
0.549
ALP-POS-e980f4ea-54
0.540
BRU-THA-92256091-59
0.537
ALP-POS-305f6ec3-59
0.535
ALP-POS-02c6a514-22
0.530
ALP-POS-e980f4ea-22
0.530
ALP-POS-e980f4ea-13
0.530
BRU-THA-92256091-22
0.530
BRU-THA-92256091-62
0.529
ALP-POS-e980f4ea-41
0.526
ALP-POS-02c6a514-52
0.522
ALP-POS-1245c3fa-1
0.522
BRU-THA-92256091-24
0.522
ALP-POS-305f6ec3-2
0.521
BRU-THA-92256091-19
0.521
ALP-POS-ced8ea4d-10
0.520
BRU-THA-92256091-63
0.520
BRU-THA-92256091-8
0.518
PET-UNK-48ab5cd7-2
0.517
ALP-POS-305f6ec3-52
0.517
WIL-UNI-354943b6-1
0.516
ALP-POS-ced8ea4d-38
0.516
ALP-POS-305f6ec3-6
0.513
MAT-POS-f2460aef-3
0.513
ALP-POS-e980f4ea-2
0.513
ALP-POS-e980f4ea-58
0.513
ALP-POS-e980f4ea-66
0.513
ALP-POS-305f6ec3-57
0.513
BRU-THA-92256091-85
0.512
BRU-THA-92256091-67
0.512
BRU-THA-92256091-66
0.512
ALP-POS-95f71980-6
0.508
BRU-THA-92256091-15
0.508
ALP-POS-1245c3fa-2
0.508
ALP-POS-305f6ec3-56
0.508
BRU-THA-92256091-17
0.508
WIL-UNI-354943b6-7
0.508
BRU-THA-92256091-20
0.508
ALP-POS-e980f4ea-46
0.508
ALP-POS-e980f4ea-6
0.508
LON-WEI-2e27a2e5-2
0.504
ALP-POS-305f6ec3-46
0.504
ALP-POS-305f6ec3-27
0.504
BRU-THA-92256091-32
0.504
ALP-POS-305f6ec3-39
0.504
WIL-UNI-354943b6-2
0.504
BRU-THA-92256091-18
0.504
WIL-UNI-354943b6-10
0.504
ALP-POS-e980f4ea-14
0.504
ALP-POS-e980f4ea-40
0.504
ALP-POS-305f6ec3-12
0.504
BRU-THA-92256091-42
0.504
MIC-UNK-8686cf1d-2
0.500
ALP-POS-b0bc6a46-22
0.500
ALP-POS-02c6a514-37
0.500