Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)C1CCc2cc(F)ccc21 |
MW: | 502.18 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.33 |
cLogP: | 4.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-ced8ea4d-23
0.813
BRU-THA-92256091-53
0.794
ALP-POS-e980f4ea-3
0.750
ALP-POS-ced8ea4d-29
0.712
ALP-POS-ced8ea4d-33
0.705
ALP-POS-ced8ea4d-13
0.658
ALP-POS-ced8ea4d-22
0.658
ALP-POS-ced8ea4d-66
0.646
BRU-THA-92256091-45
0.641
ALP-POS-ced8ea4d-2
0.640
ALP-POS-ced8ea4d-14
0.635
ALP-POS-ced8ea4d-43
0.632
ALP-POS-ced8ea4d-45
0.629
ALP-POS-ced8ea4d-56
0.624
ALP-POS-ced8ea4d-61
0.608
ALP-POS-ced8ea4d-42
0.608
ALP-POS-e980f4ea-23
0.602
ALP-POS-ced8ea4d-6
0.600
ALP-POS-ced8ea4d-31
0.598
ALP-POS-ced8ea4d-60
0.598
ALP-POS-ced8ea4d-55
0.595
ALP-POS-ced8ea4d-26
0.592
ALP-POS-ced8ea4d-57
0.590
ALP-POS-ced8ea4d-4
0.589
ALP-POS-ced8ea4d-54
0.583
ALP-POS-ced8ea4d-63
0.576
ALP-POS-ced8ea4d-28
0.575
ALP-POS-ced8ea4d-7
0.571
BRU-THA-92256091-57
0.570
ALP-POS-ced8ea4d-64
0.570
ALP-POS-ced8ea4d-9
0.569
ALP-POS-ced8ea4d-27
0.565
ALP-POS-95f71980-34
0.565
BRU-THA-92256091-35
0.562
ALP-POS-95f71980-9
0.560
ALP-POS-02c6a514-50
0.560
ALP-POS-ced8ea4d-62
0.558
ALP-UNI-fe744232-18
0.551
ALP-POS-ced8ea4d-19
0.551
ALP-POS-95f71980-14
0.551
ALP-POS-95f71980-1
0.550
ALP-POS-95f71980-20
0.550
ALP-POS-ced8ea4d-17
0.548
ALP-POS-ced8ea4d-67
0.546
ALP-POS-ced8ea4d-41
0.546
ALP-UNI-fe744232-3
0.546
ALP-POS-95f71980-39
0.545
ALP-POS-95f71980-10
0.544
ALP-POS-ced8ea4d-52
0.542
ALP-POS-ced8ea4d-5
0.542
ALP-POS-ced8ea4d-11
0.542
ALP-UNI-fe744232-14
0.542
ALP-POS-95f71980-16
0.542
ALP-UNI-fe744232-22
0.541
ALP-POS-ced8ea4d-58
0.541
ALP-POS-ced8ea4d-46
0.540
ALP-UNI-fe744232-13
0.540
ALP-POS-ced8ea4d-51
0.537
ALP-UNI-fe744232-9
0.537
ALP-POS-ced8ea4d-12
0.537
ALP-POS-95f71980-36
0.537
ALP-POS-95f71980-3
0.537
ALP-POS-e980f4ea-33
0.537
ALP-UNI-fe744232-19
0.536
ALP-POS-ced8ea4d-53
0.536
ALP-POS-95f71980-38
0.535
ALP-POS-ced8ea4d-37
0.533
ALP-POS-95f71980-5
0.533
ALP-POS-95f71980-31
0.533
ALP-POS-e980f4ea-29
0.533
ALP-UNI-fe744232-12
0.533
ALP-POS-ced8ea4d-59
0.532
ALP-POS-95f71980-13
0.529
ALP-POS-ced8ea4d-49
0.529
ALP-POS-ced8ea4d-39
0.529
ALP-UNI-fe744232-15
0.528
ALP-UNI-fe744232-30
0.528
ALP-POS-95f71980-12
0.528
ALP-UNI-fe744232-11
0.528
ALP-POS-95f71980-27
0.528
ALP-POS-ced8ea4d-47
0.528
ALP-POS-95f71980-32
0.527
ALP-POS-ced8ea4d-32
0.527
BRU-THA-92256091-9
0.525
BRU-THA-92256091-2
0.525
BRU-THA-92256091-13
0.525
BRU-THA-92256091-1
0.525
ALP-UNI-fe744232-1
0.524
ALP-UNI-fe744232-17
0.524
ALP-POS-95f71980-41
0.524
ALP-POS-ced8ea4d-16
0.524
ALP-POS-ced8ea4d-40
0.524
ALP-POS-ced8ea4d-35
0.524
BRU-THA-92256091-10
0.520
ALP-POS-95f71980-37
0.520
ALP-POS-95f71980-40
0.520
BRU-THA-92256091-29
0.520
ALP-POS-95f71980-33
0.520
ALP-UNI-fe744232-25
0.520
BRU-THA-92256091-33
0.516