Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)C1Cc2ccccc21 |
MW: | 470.18 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.33 |
cLogP: | 4.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-ced8ea4d-23
0.827
BRU-THA-92256091-35
0.779
ALP-POS-e980f4ea-29
0.726
ALP-POS-ced8ea4d-3
0.712
ALP-POS-ced8ea4d-33
0.700
ALP-POS-ced8ea4d-13
0.682
ALP-POS-ced8ea4d-22
0.667
ALP-POS-ced8ea4d-4
0.664
ALP-POS-ced8ea4d-66
0.655
BRU-THA-92256091-45
0.649
ALP-POS-ced8ea4d-2
0.649
ALP-POS-ced8ea4d-56
0.646
ALP-POS-ced8ea4d-14
0.643
ALP-POS-ced8ea4d-43
0.640
ALP-POS-ced8ea4d-45
0.637
ALP-POS-ced8ea4d-31
0.632
ALP-POS-ced8ea4d-61
0.629
ALP-POS-ced8ea4d-55
0.629
ALP-POS-e980f4ea-23
0.623
ALP-POS-ced8ea4d-6
0.621
ALP-POS-ced8ea4d-42
0.615
ALP-POS-ced8ea4d-57
0.610
ALP-POS-ced8ea4d-7
0.607
ALP-POS-ced8ea4d-64
0.606
ALP-POS-ced8ea4d-60
0.605
ALP-POS-ced8ea4d-26
0.598
ALP-POS-ced8ea4d-28
0.596
ALP-POS-ced8ea4d-54
0.589
ALP-POS-ced8ea4d-41
0.579
ALP-POS-ced8ea4d-62
0.578
ALP-POS-ced8ea4d-58
0.573
ALP-POS-ced8ea4d-27
0.571
ALP-POS-95f71980-34
0.570
ALP-POS-95f71980-14
0.570
ALP-POS-ced8ea4d-63
0.569
ALP-POS-95f71980-9
0.566
ALP-POS-02c6a514-50
0.566
ALP-POS-ced8ea4d-59
0.563
ALP-POS-ced8ea4d-9
0.561
ALP-POS-95f71980-13
0.560
ALP-POS-ced8ea4d-34
0.558
ALP-POS-95f71980-27
0.557
ALP-UNI-fe744232-18
0.557
ALP-POS-ced8ea4d-19
0.557
ALP-POS-95f71980-3
0.555
ALP-POS-ced8ea4d-40
0.555
BRU-THA-92256091-53
0.554
ALP-POS-ced8ea4d-37
0.552
ALP-POS-ced8ea4d-67
0.552
ALP-UNI-fe744232-3
0.552
ALP-POS-95f71980-5
0.551
ALP-POS-95f71980-39
0.551
ALP-UNI-fe744232-12
0.551
ALP-POS-95f71980-40
0.550
BRU-THA-92256091-57
0.550
ALP-POS-ced8ea4d-49
0.547
ALP-POS-ced8ea4d-52
0.547
ALP-POS-ced8ea4d-5
0.547
ALP-POS-ced8ea4d-11
0.547
ALP-POS-ced8ea4d-39
0.547
ALP-UNI-fe744232-14
0.547
ALP-POS-95f71980-16
0.547
ALP-UNI-fe744232-22
0.546
ALP-POS-ced8ea4d-46
0.545
ALP-POS-ced8ea4d-51
0.542
ALP-UNI-fe744232-9
0.542
ALP-POS-95f71980-1
0.542
ALP-POS-95f71980-20
0.542
ALP-POS-ced8ea4d-12
0.542
ALP-POS-95f71980-36
0.542
ALP-POS-ced8ea4d-35
0.541
ALP-POS-ced8ea4d-17
0.541
ALP-POS-ced8ea4d-53
0.541
ALP-POS-95f71980-26
0.541
ALP-POS-95f71980-31
0.538
ALP-POS-95f71980-37
0.538
ALP-POS-ced8ea4d-36
0.537
ALP-POS-95f71980-10
0.537
ALP-UNI-fe744232-15
0.533
ALP-UNI-fe744232-30
0.533
ALP-POS-95f71980-12
0.533
ALP-UNI-fe744232-11
0.533
ALP-POS-ced8ea4d-47
0.532
ALP-UNI-fe744232-13
0.532
ALP-POS-95f71980-32
0.532
BRU-THA-92256091-58
0.532
BRU-THA-92256091-9
0.530
BRU-THA-92256091-2
0.530
ALP-POS-e980f4ea-3
0.529
ALP-POS-ced8ea4d-44
0.529
ALP-UNI-fe744232-1
0.529
ALP-UNI-fe744232-17
0.529
ALP-POS-95f71980-41
0.529
ALP-POS-ced8ea4d-16
0.529
ALP-UNI-fe744232-19
0.528
ALP-POS-ced8ea4d-24
0.528
ALP-UNI-fe744232-25
0.524
ALP-POS-ced8ea4d-8
0.524
ALP-POS-ced8ea4d-21
0.524
ALP-POS-ced8ea4d-48
0.524