Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(-n2cc[nH]c2=O)cc1 |
MW: | 526.18 |
Fraction sp3: | 0.11 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 126.12 |
cLogP: | 3.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 45.1025785713487 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-UNI-fe744232-14
0.745
ALP-POS-02c6a514-50
0.740
ALP-UNI-fe744232-1
0.734
ALP-POS-ced8ea4d-27
0.731
ALP-UNI-fe744232-3
0.720
ALP-POS-95f71980-3
0.718
ALP-POS-ced8ea4d-9
0.717
ALP-POS-ced8ea4d-28
0.712
ALP-UNI-fe744232-18
0.710
ALP-POS-ced8ea4d-19
0.710
ALP-POS-95f71980-10
0.708
ALP-POS-ced8ea4d-67
0.704
ALP-POS-ced8ea4d-16
0.703
ALP-POS-ced8ea4d-11
0.697
ALP-POS-ced8ea4d-52
0.697
ALP-POS-ced8ea4d-5
0.697
ALP-UNI-fe744232-15
0.694
ALP-POS-95f71980-33
0.693
ALP-UNI-fe744232-9
0.691
ALP-POS-ced8ea4d-51
0.691
ALP-POS-95f71980-36
0.691
ALP-POS-ced8ea4d-12
0.691
ALP-POS-95f71980-28
0.687
ALP-UNI-fe744232-12
0.685
ALP-POS-ced8ea4d-62
0.685
ALP-POS-95f71980-15
0.684
ALP-UNI-fe744232-22
0.679
ALP-UNI-fe744232-30
0.679
ALP-UNI-fe744232-17
0.673
ALP-POS-95f71980-34
0.672
ALP-POS-95f71980-27
0.672
ALP-POS-ced8ea4d-17
0.670
ALP-UNI-fe744232-25
0.664
ALP-UNI-fe744232-11
0.661
ALP-POS-ced8ea4d-37
0.658
ALP-UNI-fe744232-19
0.655
ALP-POS-ced8ea4d-39
0.652
ALP-POS-ced8ea4d-49
0.652
ALP-POS-ced8ea4d-63
0.646
ALP-POS-95f71980-9
0.645
ALP-UNI-fe744232-13
0.644
ALP-POS-95f71980-38
0.636
ALP-POS-ced8ea4d-44
0.629
ALP-POS-ced8ea4d-32
0.628
ALP-POS-ced8ea4d-38
0.627
ALP-POS-ced8ea4d-20
0.627
ALP-POS-95f71980-26
0.627
ALP-POS-ced8ea4d-53
0.627
ALP-POS-95f71980-37
0.626
ALP-POS-95f71980-14
0.619
ALP-POS-ced8ea4d-10
0.619
ALP-POS-d0876c20-17
0.618
ALP-POS-ced8ea4d-47
0.617
ALP-POS-ced8ea4d-24
0.613
ALP-POS-ced8ea4d-59
0.610
ALP-POS-ced8ea4d-1
0.610
ALP-POS-95f71980-16
0.609
ALP-POS-95f71980-13
0.609
ALP-POS-ced8ea4d-8
0.608
ALP-POS-ced8ea4d-36
0.608
ALP-POS-ced8ea4d-21
0.608
ALP-POS-95f71980-12
0.607
ALP-POS-ced8ea4d-18
0.607
ALP-POS-95f71980-20
0.603
ALP-POS-ced8ea4d-50
0.603
ALP-POS-95f71980-32
0.602
ALP-POS-305f6ec3-57
0.600
ALP-POS-ced8ea4d-65
0.598
ALP-POS-95f71980-5
0.598
BRU-THA-92256091-85
0.598
ALP-POS-95f71980-31
0.598
ALP-POS-d0876c20-5
0.598
ALP-POS-ced8ea4d-25
0.597
WIL-UNI-354943b6-7
0.595
ALP-POS-ced8ea4d-30
0.591
ALP-POS-95f71980-1
0.590
ALP-POS-305f6ec3-12
0.590
WIL-UNI-354943b6-1
0.588
ALP-POS-95f71980-41
0.588
MAT-POS-f2460aef-3
0.588
PET-UNK-48ab5cd7-1
0.588
ALP-POS-305f6ec3-33
0.586
ALP-POS-ced8ea4d-15
0.585
ALP-POS-95f71980-39
0.585
ALP-POS-ced8ea4d-34
0.579
ALP-POS-95f71980-17
0.575
ALP-POS-02c6a514-46
0.574
ALP-POS-95f71980-25
0.574
ALP-POS-305f6ec3-48
0.574
ALP-POS-95f71980-8
0.574
ALP-POS-ced8ea4d-35
0.574
ALP-POS-305f6ec3-28
0.573
ALP-POS-ced8ea4d-7
0.571
BRU-THA-92256091-86
0.570
ALP-POS-95f71980-40
0.570
ALP-POS-1245c3fa-1
0.570
ALP-POS-95f71980-4
0.570
BRU-THA-92256091-24
0.570
ALP-POS-ced8ea4d-64
0.570
BRU-THA-92256091-15
0.569