Molecular Properties | |
SMILES: | Cc1nnn(-c2ccc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc2)n1 |
MW: | 526.19 |
Fraction sp3: | 0.15 |
HBA: | 9 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 131.93 |
cLogP: | 3.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 33.2475886573389 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-UNI-fe744232-14
0.769
ALP-POS-95f71980-3
0.757
ALP-POS-ced8ea4d-27
0.755
ALP-UNI-fe744232-3
0.743
ALP-UNI-fe744232-1
0.741
ALP-UNI-fe744232-18
0.733
ALP-POS-02c6a514-50
0.731
ALP-POS-95f71980-36
0.729
ALP-POS-ced8ea4d-67
0.726
ALP-POS-ced8ea4d-9
0.724
ALP-POS-ced8ea4d-28
0.718
ALP-POS-ced8ea4d-19
0.717
ALP-UNI-fe744232-30
0.716
ALP-POS-ced8ea4d-51
0.713
ALP-POS-ced8ea4d-52
0.704
ALP-POS-ced8ea4d-5
0.704
ALP-POS-ced8ea4d-11
0.704
ALP-UNI-fe744232-22
0.700
ALP-POS-95f71980-10
0.699
ALP-POS-ced8ea4d-12
0.697
ALP-UNI-fe744232-9
0.697
ALP-POS-95f71980-28
0.693
ALP-POS-95f71980-35
0.693
ALP-UNI-fe744232-12
0.691
ALP-POS-ced8ea4d-62
0.691
ALP-POS-95f71980-15
0.690
ALP-UNI-fe744232-15
0.685
ALP-UNI-fe744232-17
0.679
ALP-POS-ced8ea4d-16
0.679
ALP-UNI-fe744232-11
0.667
ALP-POS-ced8ea4d-37
0.664
ALP-POS-ced8ea4d-32
0.661
ALP-POS-ced8ea4d-17
0.661
ALP-UNI-fe744232-19
0.661
ALP-POS-ced8ea4d-49
0.658
ALP-POS-ced8ea4d-39
0.658
ALP-POS-95f71980-38
0.655
ALP-UNI-fe744232-25
0.655
ALP-POS-ced8ea4d-10
0.652
ALP-POS-ced8ea4d-63
0.652
ALP-POS-95f71980-27
0.650
ALP-POS-95f71980-34
0.650
ALP-UNI-fe744232-13
0.650
ALP-POS-ced8ea4d-44
0.649
ALP-POS-ced8ea4d-53
0.647
ALP-POS-ced8ea4d-24
0.647
ALP-POS-ced8ea4d-47
0.636
ALP-POS-ced8ea4d-38
0.632
ALP-POS-95f71980-37
0.632
ALP-POS-ced8ea4d-21
0.627
ALP-POS-95f71980-9
0.622
ALP-POS-95f71980-26
0.619
ALP-POS-ced8ea4d-20
0.619
ALP-POS-ced8ea4d-15
0.617
ALP-POS-ced8ea4d-65
0.617
ALP-POS-ced8ea4d-59
0.615
ALP-POS-ced8ea4d-25
0.615
ALP-POS-95f71980-16
0.614
ALP-POS-95f71980-13
0.614
ALP-POS-ced8ea4d-8
0.613
ALP-POS-ced8ea4d-36
0.613
ALP-POS-95f71980-14
0.611
ALP-POS-95f71980-20
0.609
ALP-POS-95f71980-1
0.609
ALP-POS-ced8ea4d-50
0.608
ALP-POS-95f71980-32
0.607
ALP-POS-ced8ea4d-1
0.602
WIL-UNI-354943b6-7
0.600
ALP-POS-ced8ea4d-18
0.598
ALP-POS-95f71980-12
0.598
ALP-POS-d0876c20-17
0.595
ALP-POS-305f6ec3-48
0.593
ALP-POS-95f71980-8
0.592
ALP-POS-95f71980-31
0.590
ALP-POS-95f71980-39
0.590
ALP-POS-95f71980-5
0.590
ALP-POS-d0876c20-5
0.589
ALP-POS-95f71980-40
0.588
ALP-POS-ced8ea4d-34
0.583
ALP-POS-ced8ea4d-30
0.583
ALP-POS-305f6ec3-12
0.581
ALP-POS-95f71980-41
0.580
WIL-UNI-354943b6-1
0.580
ALP-POS-ced8ea4d-35
0.579
ALP-POS-ced8ea4d-7
0.577
BRU-THA-92256091-85
0.576
BRU-THA-92256091-24
0.575
ALP-POS-ced8ea4d-64
0.575
ALP-POS-305f6ec3-46
0.570
WIL-UNI-354943b6-2
0.569
WIL-UNI-354943b6-10
0.569
MAT-POS-f2460aef-3
0.565
ALP-POS-95f71980-7
0.565
ALP-POS-95f71980-25
0.565
ALP-POS-305f6ec3-14
0.565
ALP-POS-ced8ea4d-41
0.564
ALP-POS-1245c3fa-1
0.561
ALP-POS-95f71980-4
0.561
ALP-POS-ced8ea4d-54
0.560
ALP-POS-95f71980-23
0.560