Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc2ncsc2c1 |
MW: | 501.13 |
Fraction sp3: | 0.12 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 101.22 |
cLogP: | 4.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 60.4763825168941 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-ced8ea4d-36
0.785
BRU-THA-92256091-51
0.783
ALP-POS-e980f4ea-24
0.725
ALP-POS-ced8ea4d-27
0.695
ALP-POS-ced8ea4d-28
0.692
ALP-POS-02c6a514-50
0.689
ALP-POS-ced8ea4d-10
0.688
ALP-POS-ced8ea4d-67
0.685
ALP-UNI-fe744232-3
0.685
ALP-POS-ced8ea4d-9
0.682
ALP-POS-ced8ea4d-65
0.678
ALP-POS-ced8ea4d-19
0.676
ALP-UNI-fe744232-18
0.676
ALP-UNI-fe744232-30
0.676
ALP-POS-ced8ea4d-21
0.675
ALP-POS-ced8ea4d-37
0.670
ALP-POS-ced8ea4d-44
0.670
ALP-POS-ced8ea4d-38
0.667
ALP-POS-95f71980-37
0.667
ALP-POS-ced8ea4d-49
0.664
ALP-POS-ced8ea4d-52
0.664
ALP-POS-ced8ea4d-5
0.664
ALP-POS-ced8ea4d-11
0.664
ALP-POS-ced8ea4d-39
0.664
ALP-UNI-fe744232-14
0.664
ALP-POS-ced8ea4d-1
0.661
ALP-POS-ced8ea4d-18
0.658
ALP-POS-ced8ea4d-12
0.658
ALP-POS-ced8ea4d-51
0.658
ALP-POS-95f71980-36
0.658
ALP-UNI-fe744232-9
0.658
ALP-POS-ced8ea4d-47
0.655
ALP-POS-ced8ea4d-20
0.652
ALP-POS-ced8ea4d-53
0.652
ALP-POS-ced8ea4d-62
0.652
ALP-UNI-fe744232-12
0.652
ALP-POS-ced8ea4d-59
0.649
ALP-POS-ced8ea4d-8
0.647
ALP-POS-95f71980-33
0.647
ALP-UNI-fe744232-15
0.646
ALP-UNI-fe744232-22
0.646
ALP-POS-ced8ea4d-63
0.643
ALP-POS-ced8ea4d-50
0.641
ALP-POS-ced8ea4d-16
0.640
ALP-UNI-fe744232-1
0.640
ALP-UNI-fe744232-17
0.640
ALP-POS-95f71980-3
0.640
ALP-POS-ced8ea4d-17
0.638
ALP-POS-ced8ea4d-15
0.636
ALP-POS-95f71980-10
0.632
ALP-UNI-fe744232-11
0.629
ALP-POS-95f71980-9
0.627
ALP-POS-95f71980-28
0.627
ALP-UNI-fe744232-13
0.627
ALP-POS-95f71980-32
0.625
ALP-UNI-fe744232-19
0.624
ALP-POS-ced8ea4d-25
0.620
ALP-UNI-fe744232-25
0.619
ALP-POS-95f71980-14
0.616
ALP-POS-95f71980-35
0.613
ALP-POS-95f71980-34
0.613
ALP-POS-95f71980-27
0.613
ALP-POS-ced8ea4d-32
0.612
ALP-POS-95f71980-26
0.610
BRU-THA-92256091-52
0.610
ALP-POS-95f71980-5
0.609
ALP-POS-95f71980-38
0.607
ALP-POS-95f71980-16
0.605
ALP-POS-95f71980-13
0.605
ALP-POS-95f71980-12
0.603
ALP-POS-ced8ea4d-34
0.602
ALP-POS-ced8ea4d-30
0.600
ALP-POS-95f71980-1
0.600
ALP-POS-95f71980-20
0.600
ALP-POS-95f71980-15
0.598
ALP-POS-95f71980-41
0.598
ALP-POS-ced8ea4d-7
0.596
ALP-POS-95f71980-31
0.595
ALP-POS-95f71980-39
0.595
ALP-POS-ced8ea4d-64
0.580
ALP-POS-95f71980-40
0.580
ALP-POS-ced8ea4d-35
0.570
ALP-POS-95f71980-8
0.570
ALP-POS-ced8ea4d-54
0.565
ALP-POS-95f71980-30
0.565
ALP-POS-e980f4ea-36
0.562
BRU-THA-92256091-62
0.558
ALP-POS-d0876c20-17
0.558
ALP-POS-ced8ea4d-41
0.556
ALP-POS-d0876c20-5
0.553
PET-UNK-48ab5cd7-3
0.548
ALP-POS-ced8ea4d-13
0.542
ALP-POS-ced8ea4d-22
0.542
BRU-THA-92256091-61
0.541
ALP-POS-02c6a514-12
0.539
ALP-POS-95f71980-4
0.539
ALP-POS-95f71980-23
0.538
ALP-POS-ced8ea4d-58
0.537
ALP-UNI-fe744232-10
0.534
ALP-POS-305f6ec3-3
0.534