Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc2nc(C(F)(F)F)[nH]c2c1 |
MW: | 552.15 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 117.01 |
cLogP: | 4.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 77.5608938838158 |
Order Status | |
Shipped: | synthesis in progress |
high halogen content (>3)
Long aliphatic chain
BRU-THA-92256091-63
0.798
ALP-POS-e980f4ea-18
0.745
ALP-POS-ced8ea4d-37
0.691
ALP-POS-ced8ea4d-27
0.685
ALP-POS-ced8ea4d-28
0.682
ALP-POS-ced8ea4d-21
0.681
ALP-POS-02c6a514-50
0.679
ALP-POS-95f71980-37
0.673
ALP-UNI-fe744232-18
0.667
ALP-POS-ced8ea4d-19
0.667
ALP-POS-ced8ea4d-20
0.658
ALP-POS-ced8ea4d-24
0.658
ALP-POS-ced8ea4d-38
0.658
ALP-POS-ced8ea4d-53
0.658
ALP-POS-ced8ea4d-9
0.658
ALP-POS-ced8ea4d-65
0.655
ALP-POS-ced8ea4d-49
0.655
ALP-POS-ced8ea4d-36
0.653
ALP-POS-ced8ea4d-10
0.650
ALP-POS-95f71980-36
0.649
ALP-POS-ced8ea4d-47
0.647
ALP-POS-ced8ea4d-44
0.647
ALP-POS-ced8ea4d-67
0.646
ALP-UNI-fe744232-3
0.646
ALP-POS-ced8ea4d-59
0.641
ALP-UNI-fe744232-14
0.640
ALP-POS-ced8ea4d-52
0.640
ALP-POS-ced8ea4d-5
0.640
ALP-POS-ced8ea4d-11
0.640
ALP-POS-ced8ea4d-39
0.640
ALP-POS-ced8ea4d-8
0.639
ALP-POS-ced8ea4d-12
0.635
ALP-POS-ced8ea4d-51
0.635
ALP-UNI-fe744232-9
0.635
ALP-POS-ced8ea4d-16
0.632
ALP-UNI-fe744232-12
0.629
ALP-POS-ced8ea4d-62
0.629
ALP-POS-ced8ea4d-15
0.628
ALP-UNI-fe744232-15
0.624
ALP-UNI-fe744232-22
0.624
ALP-UNI-fe744232-30
0.624
ALP-POS-95f71980-14
0.623
ALP-POS-95f71980-1
0.621
ALP-POS-ced8ea4d-63
0.621
ALP-POS-ced8ea4d-50
0.620
ALP-POS-95f71980-28
0.620
ALP-POS-95f71980-27
0.620
ALP-POS-95f71980-9
0.619
ALP-UNI-fe744232-1
0.619
ALP-UNI-fe744232-17
0.619
ALP-POS-95f71980-3
0.619
ALP-POS-95f71980-15
0.618
ALP-POS-95f71980-32
0.618
ALP-POS-95f71980-16
0.612
ALP-POS-95f71980-10
0.612
ALP-UNI-fe744232-25
0.612
ALP-UNI-fe744232-11
0.608
ALP-UNI-fe744232-13
0.607
ALP-POS-95f71980-35
0.607
ALP-POS-95f71980-34
0.607
ALP-POS-ced8ea4d-17
0.603
ALP-POS-95f71980-26
0.603
ALP-UNI-fe744232-19
0.603
ALP-POS-95f71980-5
0.602
ALP-POS-ced8ea4d-25
0.600
ALP-POS-ced8ea4d-1
0.600
ALP-POS-95f71980-33
0.598
ALP-POS-95f71980-13
0.598
ALP-POS-95f71980-12
0.597
ALP-POS-95f71980-20
0.593
ALP-POS-ced8ea4d-32
0.592
ALP-POS-95f71980-41
0.592
ALP-POS-95f71980-31
0.588
ALP-POS-95f71980-39
0.588
ALP-POS-95f71980-38
0.587
ALP-POS-95f71980-40
0.587
ALP-POS-ced8ea4d-34
0.582
ALP-POS-ced8ea4d-30
0.581
ALP-POS-ced8ea4d-35
0.577
ALP-POS-ced8ea4d-54
0.573
ALP-POS-95f71980-30
0.571
ALP-POS-d0876c20-17
0.565
ALP-POS-95f71980-8
0.565
ALP-POS-ced8ea4d-7
0.561
ALP-POS-ced8ea4d-64
0.560
ALP-POS-d0876c20-5
0.560
ALP-POS-ced8ea4d-45
0.553
ALP-POS-ced8ea4d-13
0.550
ALP-POS-ced8ea4d-22
0.550
ALP-POS-ced8ea4d-55
0.548
BRU-THA-92256091-67
0.548
BRU-THA-92256091-32
0.542
ALP-POS-305f6ec3-12
0.541
ALP-POS-ced8ea4d-66
0.541
BRU-THA-92256091-62
0.540
ALP-POS-ced8ea4d-6
0.540
MAT-POS-f2460aef-3
0.538
ALP-POS-ced8ea4d-41
0.537
ALP-POS-ced8ea4d-2
0.537
ALP-POS-ced8ea4d-61
0.535