Molecular Properties | |
SMILES: | COc1ccccc1CN(C(=O)c1cocn1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1 |
MW: | 488.19 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 97.56 |
cLogP: | 3.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-ced8ea4d-48
0.790
BRU-THA-92256091-28
0.777
ALP-POS-ced8ea4d-41
0.772
ALP-POS-ced8ea4d-7
0.745
ALP-POS-ced8ea4d-64
0.740
ALP-POS-ced8ea4d-46
0.738
ALP-POS-e980f4ea-40
0.708
BRU-THA-92256091-43
0.612
ALP-POS-ced8ea4d-54
0.609
ALP-POS-ced8ea4d-19
0.604
ALP-POS-ced8ea4d-28
0.602
ALP-POS-ced8ea4d-58
0.591
BRU-THA-92256091-27
0.589
ALP-POS-95f71980-9
0.586
ALP-POS-95f71980-40
0.581
ALP-POS-95f71980-13
0.579
ALP-POS-ced8ea4d-52
0.579
ALP-UNI-fe744232-30
0.578
ALP-POS-ced8ea4d-27
0.577
ALP-POS-ced8ea4d-50
0.575
BRU-THA-92256091-87
0.575
ALP-POS-ced8ea4d-66
0.574
ALP-POS-02c6a514-50
0.571
ALP-POS-ced8ea4d-22
0.570
ALP-POS-ced8ea4d-67
0.570
ALP-POS-ced8ea4d-13
0.570
ALP-UNI-fe744232-3
0.570
ALP-UNI-fe744232-12
0.569
BRU-THA-92256091-41
0.568
ALP-POS-ced8ea4d-9
0.566
ALP-POS-ced8ea4d-39
0.565
ALP-POS-ced8ea4d-49
0.565
BRU-THA-92256091-11
0.565
ALP-POS-ced8ea4d-14
0.564
BRU-THA-92256091-7
0.564
ALP-POS-95f71980-14
0.561
ALP-UNI-fe744232-18
0.561
ALP-POS-ced8ea4d-51
0.560
ALP-POS-ced8ea4d-12
0.560
ALP-UNI-fe744232-9
0.560
ALP-POS-ced8ea4d-44
0.559
ALP-POS-ced8ea4d-6
0.558
ALP-POS-ced8ea4d-37
0.557
ALP-POS-ced8ea4d-2
0.556
ALP-POS-95f71980-31
0.556
ALP-POS-ced8ea4d-62
0.556
ALP-POS-e980f4ea-48
0.555
ALP-POS-ced8ea4d-29
0.555
ALP-POS-ced8ea4d-56
0.555
ALP-POS-ced8ea4d-42
0.554
ALP-POS-ced8ea4d-61
0.554
ALP-POS-ced8ea4d-55
0.554
ALP-POS-ced8ea4d-11
0.552
ALP-POS-ced8ea4d-5
0.552
ALP-POS-95f71980-16
0.552
ALP-UNI-fe744232-14
0.552
ALP-UNI-fe744232-22
0.551
ALP-POS-ced8ea4d-34
0.550
ALP-POS-95f71980-1
0.547
ALP-POS-95f71980-20
0.547
ALP-POS-95f71980-36
0.547
ALP-POS-ced8ea4d-63
0.547
ALP-POS-ced8ea4d-45
0.546
ALP-POS-ced8ea4d-35
0.545
ALP-POS-95f71980-26
0.545
ALP-POS-95f71980-5
0.542
ALP-POS-95f71980-39
0.542
ALP-POS-95f71980-37
0.542
ALP-POS-ced8ea4d-59
0.542
ALP-POS-95f71980-12
0.538
ALP-UNI-fe744232-15
0.538
ALP-POS-ced8ea4d-33
0.537
ALP-POS-ced8ea4d-43
0.537
ALP-UNI-fe744232-11
0.537
ALP-POS-ced8ea4d-23
0.537
ALP-UNI-fe744232-13
0.537
ALP-POS-95f71980-34
0.537
ALP-POS-b0bc6a46-2
0.536
ALP-POS-02c6a514-2
0.536
ALP-POS-ced8ea4d-16
0.533
ALP-POS-95f71980-3
0.533
ALP-POS-95f71980-41
0.533
ALP-UNI-fe744232-17
0.533
ALP-UNI-fe744232-1
0.533
ALP-POS-ced8ea4d-53
0.533
ALP-POS-ced8ea4d-24
0.533
ALP-POS-95f71980-8
0.533
ALP-POS-ced8ea4d-31
0.532
ALP-POS-e980f4ea-41
0.530
ALP-UNI-fe744232-25
0.528
ALP-POS-ced8ea4d-36
0.528
ALP-POS-ced8ea4d-26
0.528
ALP-POS-b0bc6a46-10
0.525
ALP-POS-02c6a514-16
0.525
ALP-POS-ced8ea4d-10
0.525
ALP-POS-ced8ea4d-47
0.524
ALP-POS-ced8ea4d-3
0.524
ALP-POS-ced8ea4d-57
0.524
ALP-POS-95f71980-27
0.524
ALP-POS-ced8ea4d-4
0.524