Molecular Properties | |
SMILES: | O=C(NCCCO)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 545.21 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 12 |
TPSA: | 137.66 |
cLogP: | 3.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Aliphatic long chain
Long aliphatic chain
ALP-UNI-fe744232-17
0.889
ALP-UNI-fe744232-15
0.860
ALP-UNI-fe744232-9
0.840
WIL-UNI-354943b6-11
0.783
ALP-POS-02c6a514-50
0.755
ALP-POS-ced8ea4d-27
0.745
ALP-UNI-fe744232-18
0.740
ALP-POS-ced8ea4d-9
0.731
ALP-POS-ced8ea4d-28
0.725
ALP-POS-ced8ea4d-19
0.724
ALP-POS-ced8ea4d-51
0.720
ALP-POS-95f71980-36
0.720
ALP-POS-ced8ea4d-12
0.720
ALP-UNI-fe744232-3
0.717
ALP-POS-ced8ea4d-67
0.717
ALP-UNI-fe744232-12
0.713
ALP-POS-ced8ea4d-62
0.713
ALP-UNI-fe744232-14
0.710
ALP-POS-ced8ea4d-52
0.710
ALP-POS-ced8ea4d-5
0.710
ALP-POS-ced8ea4d-11
0.710
ALP-UNI-fe744232-22
0.706
ALP-UNI-fe744232-30
0.706
WIL-UNI-354943b6-9
0.691
ALP-POS-95f71980-10
0.690
ALP-UNI-fe744232-1
0.685
ALP-POS-ced8ea4d-16
0.685
ALP-POS-95f71980-3
0.685
ALP-POS-95f71980-27
0.684
ALP-UNI-fe744232-11
0.673
ALP-POS-ced8ea4d-37
0.670
ALP-POS-95f71980-34
0.670
ALP-UNI-fe744232-13
0.670
ALP-POS-ced8ea4d-17
0.667
WIL-UNI-354943b6-8
0.667
ALP-POS-ced8ea4d-49
0.664
ALP-POS-ced8ea4d-39
0.664
ALP-POS-95f71980-33
0.661
ALP-UNI-fe744232-25
0.661
ALP-POS-95f71980-35
0.655
ALP-POS-95f71980-28
0.655
ALP-POS-95f71980-15
0.653
WIL-UNI-354943b6-3
0.649
ALP-POS-ced8ea4d-63
0.643
ALP-POS-ced8ea4d-44
0.640
ALP-POS-ced8ea4d-32
0.639
ALP-POS-ced8ea4d-38
0.638
ALP-POS-95f71980-37
0.637
ALP-POS-95f71980-38
0.633
ALP-POS-95f71980-14
0.631
ALP-POS-ced8ea4d-10
0.629
ALP-POS-95f71980-9
0.627
ALP-POS-ced8ea4d-24
0.624
ALP-POS-ced8ea4d-53
0.624
ALP-POS-ced8ea4d-20
0.624
ALP-POS-ced8ea4d-59
0.621
ALP-POS-95f71980-13
0.619
ALP-POS-ced8ea4d-8
0.619
ALP-POS-ced8ea4d-21
0.619
ALP-POS-ced8ea4d-36
0.619
ALP-POS-d0876c20-17
0.615
ALP-POS-ced8ea4d-47
0.613
ALP-POS-ced8ea4d-50
0.613
ALP-POS-95f71980-26
0.610
ALP-POS-d0876c20-5
0.609
ALP-POS-95f71980-31
0.609
ALP-POS-95f71980-39
0.609
ALP-POS-ced8ea4d-65
0.608
ALP-POS-ced8ea4d-1
0.607
ALP-POS-95f71980-16
0.605
ALP-POS-ced8ea4d-18
0.603
ALP-POS-95f71980-20
0.600
ALP-POS-95f71980-1
0.600
ALP-POS-ced8ea4d-30
0.600
ALP-POS-95f71980-32
0.598
ALP-POS-95f71980-8
0.597
ALP-POS-ced8ea4d-15
0.595
ALP-POS-95f71980-5
0.595
ALP-POS-ced8ea4d-25
0.593
ALP-POS-95f71980-12
0.590
ALP-POS-95f71980-41
0.585
ALP-POS-d0876c20-13
0.585
ALP-POS-305f6ec3-48
0.584
PET-UNK-48ab5cd7-1
0.584
ALP-POS-d0876c20-21
0.584
MAT-POS-f2460aef-3
0.584
ALP-POS-ced8ea4d-7
0.582
ALP-UNI-fe744232-28
0.581
ALP-POS-95f71980-4
0.580
ALP-POS-ced8ea4d-64
0.580
ALP-POS-95f71980-40
0.580
LON-WEI-2e27a2e5-2
0.578
ALP-POS-305f6ec3-54
0.578
ALP-POS-d0876c20-1
0.578
ALP-POS-95f71980-30
0.577
ALP-POS-305f6ec3-46
0.575
ALP-UNI-fe744232-10
0.575
ALP-POS-d0876c20-14
0.575
PET-UNK-48ab5cd7-3
0.575
ALP-POS-ced8ea4d-34
0.575