Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)C1COc2cc(F)ccc21 |
MW: | 504.16 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 97.56 |
cLogP: | 4.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
BRU-THA-92256091-57
0.798
ALP-POS-e980f4ea-33
0.738
ALP-POS-ced8ea4d-3
0.705
ALP-POS-ced8ea4d-29
0.700
ALP-POS-ced8ea4d-23
0.675
ALP-POS-ced8ea4d-14
0.667
ALP-POS-ced8ea4d-66
0.664
ALP-POS-ced8ea4d-13
0.661
ALP-POS-ced8ea4d-22
0.661
ALP-POS-ced8ea4d-2
0.658
ALP-POS-ced8ea4d-42
0.638
ALP-POS-ced8ea4d-45
0.632
ALP-POS-ced8ea4d-4
0.630
ALP-POS-ced8ea4d-6
0.629
ALP-POS-ced8ea4d-56
0.626
ALP-POS-ced8ea4d-43
0.621
ALP-POS-ced8ea4d-57
0.619
ALP-POS-ced8ea4d-31
0.613
ALP-POS-ced8ea4d-60
0.613
ALP-POS-ced8ea4d-61
0.610
ALP-POS-ced8ea4d-55
0.610
ALP-POS-ced8ea4d-26
0.607
ALP-POS-ced8ea4d-7
0.602
ALP-POS-ced8ea4d-54
0.584
ALP-POS-ced8ea4d-63
0.578
ALP-POS-ced8ea4d-28
0.577
ALP-POS-ced8ea4d-62
0.573
ALP-POS-95f71980-5
0.573
ALP-POS-ced8ea4d-64
0.571
ALP-POS-ced8ea4d-9
0.570
ALP-POS-ced8ea4d-27
0.566
ALP-POS-95f71980-14
0.565
BRU-THA-92256091-53
0.562
ALP-POS-02c6a514-50
0.561
ALP-POS-95f71980-9
0.561
ALP-POS-ced8ea4d-59
0.558
ALP-POS-95f71980-13
0.556
ALP-POS-95f71980-34
0.553
ALP-POS-ced8ea4d-19
0.552
ALP-UNI-fe744232-18
0.552
ALP-POS-95f71980-1
0.551
ALP-POS-95f71980-20
0.551
ALP-UNI-fe744232-9
0.551
BRU-THA-92256091-35
0.550
ALP-POS-ced8ea4d-37
0.547
ALP-POS-ced8ea4d-41
0.547
ALP-POS-ced8ea4d-67
0.547
ALP-UNI-fe744232-3
0.547
ALP-POS-95f71980-39
0.546
ALP-POS-95f71980-31
0.546
ALP-POS-ced8ea4d-49
0.542
ALP-POS-ced8ea4d-52
0.542
ALP-POS-ced8ea4d-5
0.542
ALP-POS-ced8ea4d-11
0.542
ALP-POS-ced8ea4d-39
0.542
ALP-POS-95f71980-16
0.542
ALP-UNI-fe744232-14
0.542
ALP-POS-ced8ea4d-58
0.542
ALP-UNI-fe744232-22
0.542
BRU-THA-92256091-2
0.538
ALP-POS-ced8ea4d-12
0.538
ALP-POS-ced8ea4d-51
0.538
ALP-POS-95f71980-36
0.538
ALP-POS-ced8ea4d-40
0.537
ALP-POS-95f71980-3
0.537
ALP-UNI-fe744232-17
0.537
BRU-THA-92256091-45
0.537
ALP-POS-ced8ea4d-17
0.537
BRU-THA-92256091-10
0.533
BRU-THA-92256091-39
0.533
ALP-POS-95f71980-37
0.533
ALP-UNI-fe744232-12
0.533
ALP-POS-95f71980-40
0.533
ALP-POS-95f71980-10
0.532
ALP-UNI-fe744232-25
0.532
ALP-POS-95f71980-12
0.529
ALP-UNI-fe744232-15
0.529
ALP-UNI-fe744232-30
0.529
ALP-POS-ced8ea4d-34
0.528
ALP-POS-ced8ea4d-46
0.528
ALP-UNI-fe744232-11
0.528
ALP-POS-95f71980-27
0.528
ALP-UNI-fe744232-13
0.528
ALP-POS-ced8ea4d-32
0.528
ALP-POS-95f71980-15
0.528
BRU-THA-92256091-1
0.525
ALP-POS-e980f4ea-3
0.525
ALP-POS-ced8ea4d-16
0.525
ALP-POS-95f71980-41
0.525
ALP-POS-ced8ea4d-44
0.525
ALP-UNI-fe744232-1
0.525
ALP-POS-ced8ea4d-35
0.524
ALP-POS-ced8ea4d-53
0.524
ALP-POS-95f71980-26
0.524
ALP-UNI-fe744232-19
0.524
ALP-POS-ced8ea4d-21
0.520
ALP-POS-ced8ea4d-36
0.520
ALP-POS-ced8ea4d-8
0.520
ALP-POS-ced8ea4d-10
0.516
ALP-POS-ced8ea4d-47
0.516