Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1cn(Cc2ccccc2)cn1 |
MW: | 524.2 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 106.15 |
cLogP: | 4.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 27.312900042631 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
BRU-THA-92256091-88
0.792
ALP-POS-e980f4ea-35
0.750
ALP-POS-ced8ea4d-28
0.692
ALP-POS-95f71980-9
0.689
ALP-POS-95f71980-16
0.664
ALP-POS-95f71980-12
0.661
ALP-POS-95f71980-1
0.658
ALP-POS-95f71980-20
0.658
ALP-POS-95f71980-41
0.655
ALP-POS-95f71980-26
0.652
ALP-POS-95f71980-31
0.652
ALP-POS-95f71980-39
0.652
ALP-POS-95f71980-13
0.649
ALP-POS-ced8ea4d-64
0.639
ALP-POS-ced8ea4d-27
0.633
ALP-POS-02c6a514-50
0.627
ALP-POS-ced8ea4d-9
0.622
ALP-POS-95f71980-40
0.621
ALP-UNI-fe744232-14
0.619
ALP-UNI-fe744232-30
0.617
ALP-POS-ced8ea4d-19
0.616
ALP-POS-95f71980-14
0.616
ALP-UNI-fe744232-18
0.616
ALP-POS-ced8ea4d-16
0.612
ALP-POS-ced8ea4d-7
0.611
ALP-POS-ced8ea4d-37
0.611
ALP-POS-ced8ea4d-67
0.611
ALP-UNI-fe744232-3
0.611
ALP-POS-95f71980-5
0.609
ALP-POS-ced8ea4d-54
0.607
ALP-POS-ced8ea4d-11
0.605
ALP-POS-ced8ea4d-39
0.605
ALP-POS-ced8ea4d-49
0.605
ALP-POS-ced8ea4d-5
0.605
ALP-POS-ced8ea4d-52
0.605
ALP-UNI-fe744232-22
0.603
ALP-POS-ced8ea4d-51
0.600
ALP-POS-ced8ea4d-12
0.600
ALP-POS-95f71980-36
0.600
ALP-UNI-fe744232-9
0.600
ALP-POS-ced8ea4d-63
0.600
ALP-UNI-fe744232-17
0.598
ALP-UNI-fe744232-1
0.598
ALP-POS-95f71980-8
0.597
ALP-POS-95f71980-37
0.595
ALP-UNI-fe744232-12
0.595
ALP-POS-ced8ea4d-62
0.595
ALP-POS-ced8ea4d-59
0.593
ALP-UNI-fe744232-15
0.590
ALP-POS-ced8ea4d-10
0.588
ALP-POS-ced8ea4d-44
0.585
ALP-POS-95f71980-3
0.585
ALP-POS-95f71980-33
0.579
ALP-UNI-fe744232-25
0.579
ALP-POS-ced8ea4d-18
0.577
ALP-POS-ced8ea4d-34
0.575
ALP-UNI-fe744232-11
0.575
ALP-POS-95f71980-34
0.574
ALP-POS-ced8ea4d-47
0.574
ALP-POS-ced8ea4d-50
0.574
ALP-POS-95f71980-28
0.574
ALP-POS-95f71980-35
0.574
ALP-UNI-fe744232-13
0.574
ALP-POS-ced8ea4d-53
0.570
ALP-POS-ced8ea4d-17
0.570
ALP-POS-ced8ea4d-24
0.570
ALP-POS-ced8ea4d-38
0.570
ALP-UNI-fe744232-19
0.570
ALP-POS-ced8ea4d-20
0.570
ALP-POS-ced8ea4d-41
0.569
ALP-POS-95f71980-10
0.566
ALP-POS-ced8ea4d-21
0.566
ALP-POS-ced8ea4d-8
0.566
ALP-POS-ced8ea4d-36
0.566
ALP-POS-95f71980-30
0.565
ALP-POS-ced8ea4d-58
0.563
ALP-POS-95f71980-27
0.561
ALP-POS-95f71980-32
0.560
ALP-POS-ced8ea4d-15
0.556
ALP-POS-ced8ea4d-65
0.556
ALP-POS-ced8ea4d-22
0.556
ALP-POS-ced8ea4d-13
0.556
ALP-POS-ced8ea4d-2
0.555
ALP-POS-ced8ea4d-55
0.553
ALP-POS-ced8ea4d-32
0.548
ALP-POS-95f71980-15
0.548
ALP-POS-ced8ea4d-66
0.546
ALP-POS-ced8ea4d-40
0.545
ALP-POS-ced8ea4d-31
0.544
ALP-POS-ced8ea4d-25
0.543
ALP-POS-95f71980-38
0.543
ALP-POS-ced8ea4d-1
0.543
ALP-POS-ced8ea4d-29
0.541
ALP-POS-ced8ea4d-14
0.537
ALP-POS-ced8ea4d-43
0.537
BRU-THA-92256091-8
0.535
ALP-POS-ced8ea4d-45
0.533
ALP-POS-ced8ea4d-56
0.528
ALP-POS-ced8ea4d-61
0.528
ALP-POS-ced8ea4d-48
0.528