Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2ccno2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 500.22 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.33 |
cLogP: | 5.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.11282811604287 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
MAT-POS-f2460aef-2
0.798
LON-WEI-2e27a2e5-1
0.798
MAT-POS-f2460aef-1
0.798
ALP-POS-305f6ec3-49
0.780
ALP-POS-305f6ec3-44
0.772
LON-WEI-2e27a2e5-2
0.764
MAT-POS-f2460aef-4
0.763
ALP-POS-95f71980-4
0.761
ALP-POS-02c6a514-11
0.756
ALP-POS-95f71980-6
0.755
ALP-POS-95f71980-25
0.745
ALP-POS-02c6a514-12
0.742
ALP-POS-305f6ec3-59
0.742
ALP-POS-02c6a514-26
0.739
LON-WEI-adc59df6-47
0.736
PAU-WEI-5b8d5051-1
0.736
LON-POS-586a7c45-1
0.736
ALP-POS-95f71980-18
0.732
ALP-POS-95f71980-2
0.731
ALP-POS-95f71980-17
0.731
ALP-POS-02c6a514-50
0.726
ALP-POS-95f71980-7
0.726
ALP-POS-305f6ec3-4
0.724
ALP-POS-02c6a514-52
0.723
PAU-WEI-5b8d5051-2
0.717
ALP-POS-305f6ec3-27
0.716
PET-UNK-48ab5cd7-3
0.716
ALP-POS-305f6ec3-46
0.716
PET-UNK-48ab5cd7-2
0.716
ALP-POS-305f6ec3-41
0.716
ALP-POS-02c6a514-22
0.716
PET-UNK-7d68125a-2
0.713
ALP-POS-02c6a514-25
0.708
ALP-POS-02c6a514-46
0.708
ALP-POS-02c6a514-49
0.708
ALP-POS-305f6ec3-14
0.708
MAT-POS-f2460aef-3
0.708
MAT-POS-f2460aef-5
0.708
ALP-POS-02c6a514-6
0.708
ALP-POS-305f6ec3-48
0.708
ALP-POS-305f6ec3-55
0.708
PET-UNK-48ab5cd7-1
0.708
ALP-POS-95f71980-24
0.708
ALP-POS-95f71980-22
0.708
ALP-POS-305f6ec3-6
0.708
ALP-POS-305f6ec3-28
0.704
PET-UNK-7d68125a-4
0.702
ALP-POS-305f6ec3-2
0.701
ALP-POS-02c6a514-33
0.701
ALP-POS-305f6ec3-56
0.701
ALP-POS-95f71980-23
0.701
ALP-POS-95f71980-29
0.701
ALP-POS-305f6ec3-19
0.697
ALP-POS-02c6a514-40
0.697
PET-UNK-7d68125a-3
0.695
ALP-POS-305f6ec3-38
0.694
ALP-POS-305f6ec3-52
0.694
ALF-EVA-719172df-4
0.694
ALP-POS-305f6ec3-3
0.694
ALP-POS-305f6ec3-39
0.694
ALP-POS-305f6ec3-40
0.694
ALP-POS-305f6ec3-18
0.689
JOE-NOR-4e4adc6b-1
0.688
ALP-POS-305f6ec3-57
0.687
ALP-POS-305f6ec3-33
0.687
ALP-POS-305f6ec3-30
0.686
PET-UNK-7d68125a-1
0.680
ALP-POS-305f6ec3-20
0.680
ALP-POS-305f6ec3-50
0.680
ALP-POS-305f6ec3-54
0.680
ALP-UNI-c3ef0aba-3
0.673
ALP-POS-305f6ec3-12
0.673
ALP-POS-305f6ec3-23
0.673
ALP-POS-305f6ec3-35
0.673
ALP-POS-305f6ec3-1
0.673
PET-UNK-48ab5cd7-6
0.670
ALP-POS-305f6ec3-51
0.667
ALP-POS-305f6ec3-17
0.667
ALP-POS-305f6ec3-10
0.663
ALP-POS-02c6a514-17
0.663
ALP-POS-305f6ec3-42
0.660
ALP-POS-305f6ec3-7
0.657
ALP-POS-95f71980-11
0.657
ALP-POS-305f6ec3-47
0.654
ALP-POS-02c6a514-45
0.654
ALP-POS-305f6ec3-5
0.648
ALP-POS-305f6ec3-45
0.648
ALP-POS-305f6ec3-16
0.648
ALP-POS-02c6a514-51
0.647
ALF-EVA-719172df-6
0.646
ALP-UNI-fe744232-18
0.644
ALP-POS-305f6ec3-36
0.642
ALP-POS-02c6a514-38
0.639
ALP-POS-b0bc6a46-23
0.639
LON-WEI-babf2c61-9
0.639
ALP-POS-305f6ec3-32
0.633
ALP-POS-305f6ec3-24
0.633
ALP-POS-305f6ec3-37
0.631
WIL-UNI-354943b6-10
0.627
ALP-POS-02c6a514-37
0.626