Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2ccncc2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 510.24 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 75.19 |
cLogP: | 5.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-02c6a514-11
0.859
LON-WEI-2e27a2e5-2
0.826
ALP-POS-02c6a514-25
0.763
MAT-POS-f2460aef-5
0.763
PET-UNK-48ab5cd7-1
0.763
ALP-POS-02c6a514-33
0.755
ALP-POS-95f71980-17
0.750
ALP-POS-95f71980-4
0.742
ALP-POS-95f71980-21
0.739
MAT-POS-f2460aef-1
0.739
LON-WEI-2e27a2e5-1
0.739
MAT-POS-f2460aef-2
0.739
LON-WEI-adc59df6-47
0.736
PAU-WEI-5b8d5051-1
0.736
LON-POS-586a7c45-1
0.736
PET-UNK-48ab5cd7-3
0.734
ALP-POS-305f6ec3-46
0.734
ALP-POS-95f71980-2
0.731
ALP-POS-95f71980-25
0.726
ALP-POS-305f6ec3-14
0.726
MAT-POS-f2460aef-3
0.726
ALP-POS-02c6a514-50
0.726
ALP-POS-305f6ec3-48
0.726
ALP-POS-95f71980-7
0.726
ALP-POS-95f71980-24
0.726
ALP-POS-305f6ec3-49
0.723
ALP-POS-02c6a514-52
0.723
ALP-POS-02c6a514-12
0.723
ALP-POS-305f6ec3-59
0.723
PET-UNK-7d68125a-4
0.720
ALP-POS-95f71980-23
0.719
PAU-WEI-5b8d5051-2
0.717
ALP-POS-305f6ec3-44
0.716
ALP-POS-305f6ec3-41
0.716
ALP-POS-02c6a514-22
0.716
ALP-POS-305f6ec3-27
0.716
PET-UNK-48ab5cd7-2
0.716
ALP-POS-02c6a514-40
0.714
ALP-POS-305f6ec3-38
0.711
MAT-POS-f2460aef-4
0.708
ALP-POS-02c6a514-6
0.708
ALP-POS-02c6a514-46
0.708
ALP-POS-02c6a514-49
0.708
ALP-POS-305f6ec3-6
0.708
ALP-POS-95f71980-22
0.708
ALP-POS-305f6ec3-55
0.708
ALP-POS-305f6ec3-28
0.704
ALP-POS-305f6ec3-33
0.704
ALP-POS-305f6ec3-2
0.701
ALP-POS-95f71980-6
0.701
ALP-POS-305f6ec3-56
0.701
ALP-POS-95f71980-29
0.701
ALP-POS-305f6ec3-54
0.697
ALP-POS-305f6ec3-50
0.697
ALP-POS-305f6ec3-19
0.697
PET-UNK-7d68125a-2
0.695
PET-UNK-7d68125a-3
0.695
ALP-POS-305f6ec3-3
0.694
ALP-POS-305f6ec3-39
0.694
ALP-POS-305f6ec3-40
0.694
ALP-POS-305f6ec3-52
0.694
ALP-POS-305f6ec3-12
0.690
ALP-POS-305f6ec3-35
0.690
JOE-NOR-4e4adc6b-1
0.688
ALP-POS-305f6ec3-57
0.687
ALP-POS-305f6ec3-17
0.683
PET-UNK-7d68125a-1
0.680
ALP-POS-95f71980-18
0.680
ALP-POS-305f6ec3-20
0.680
LON-WEI-babf2c61-9
0.674
ALP-UNI-c3ef0aba-3
0.673
ALP-POS-305f6ec3-4
0.673
ALP-POS-305f6ec3-23
0.673
ALP-POS-02c6a514-45
0.670
ALP-POS-305f6ec3-51
0.667
ALP-POS-305f6ec3-10
0.663
ALP-POS-305f6ec3-16
0.663
ALP-POS-02c6a514-17
0.663
ALP-POS-305f6ec3-42
0.660
ALP-POS-305f6ec3-1
0.657
ALP-POS-305f6ec3-18
0.657
ALP-POS-95f71980-11
0.657
ALP-POS-305f6ec3-21
0.648
ALP-POS-305f6ec3-5
0.648
ALP-POS-305f6ec3-45
0.648
ALP-POS-02c6a514-51
0.647
ALP-POS-305f6ec3-34
0.645
WIL-UNI-354943b6-10
0.644
ALP-UNI-fe744232-18
0.644
ALP-POS-305f6ec3-36
0.642
ALP-POS-305f6ec3-7
0.642
ALP-POS-305f6ec3-47
0.639
ALP-POS-305f6ec3-9
0.627
ALP-POS-305f6ec3-53
0.627
ALP-POS-95f71980-36
0.625
ALP-POS-305f6ec3-30
0.624
ALP-POS-305f6ec3-13
0.622
PET-UNK-48ab5cd7-6
0.621
ALP-POS-305f6ec3-8
0.618
ALP-POS-305f6ec3-24
0.618