Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2ccccc2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 509.25 |
Fraction sp3: | 0.22 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 62.3 |
cLogP: | 6.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-02c6a514-26
0.859
LON-WEI-2e27a2e5-2
0.845
MAT-POS-f2460aef-5
0.780
PET-UNK-48ab5cd7-1
0.780
ALP-POS-02c6a514-25
0.780
ALP-POS-02c6a514-33
0.772
PET-UNK-48ab5cd7-3
0.769
ALP-POS-95f71980-17
0.767
ALP-POS-95f71980-4
0.758
MAT-POS-f2460aef-2
0.756
MAT-POS-f2460aef-1
0.756
ALP-POS-95f71980-21
0.756
LON-WEI-2e27a2e5-1
0.756
LON-WEI-adc59df6-47
0.753
PAU-WEI-5b8d5051-1
0.753
LON-POS-586a7c45-1
0.753
ALP-POS-305f6ec3-46
0.750
ALP-POS-95f71980-2
0.747
MAT-POS-f2460aef-3
0.742
ALP-POS-95f71980-25
0.742
MAT-POS-f2460aef-4
0.742
ALP-POS-305f6ec3-48
0.742
ALP-POS-95f71980-24
0.742
ALP-POS-305f6ec3-14
0.742
ALP-POS-02c6a514-6
0.742
ALP-POS-02c6a514-50
0.742
ALP-POS-95f71980-7
0.742
ALP-POS-02c6a514-12
0.739
ALP-POS-02c6a514-52
0.739
ALP-POS-305f6ec3-49
0.739
ALP-POS-305f6ec3-59
0.739
PET-UNK-7d68125a-4
0.736
ALP-POS-95f71980-23
0.734
PAU-WEI-5b8d5051-2
0.733
PET-UNK-48ab5cd7-2
0.731
ALP-POS-305f6ec3-27
0.731
ALP-POS-02c6a514-22
0.731
ALP-POS-305f6ec3-41
0.731
ALP-POS-305f6ec3-44
0.731
ALP-POS-305f6ec3-38
0.726
ALP-POS-305f6ec3-40
0.726
ALP-POS-305f6ec3-6
0.723
ALP-POS-305f6ec3-55
0.723
ALP-POS-02c6a514-49
0.723
ALP-POS-95f71980-22
0.723
ALP-POS-02c6a514-46
0.723
ALP-POS-305f6ec3-28
0.719
ALP-POS-305f6ec3-33
0.719
ALP-POS-95f71980-6
0.716
ALP-POS-95f71980-29
0.716
ALP-POS-305f6ec3-2
0.716
ALP-POS-305f6ec3-56
0.716
ALP-POS-02c6a514-40
0.711
ALP-POS-305f6ec3-54
0.711
ALP-POS-305f6ec3-20
0.711
ALP-POS-305f6ec3-50
0.711
PET-UNK-7d68125a-3
0.710
PET-UNK-7d68125a-2
0.710
ALP-POS-305f6ec3-3
0.708
ALP-POS-305f6ec3-39
0.708
ALP-POS-305f6ec3-52
0.708
ALP-POS-305f6ec3-35
0.704
ALP-POS-305f6ec3-12
0.704
JOE-NOR-4e4adc6b-1
0.702
ALP-POS-305f6ec3-57
0.701
ALP-POS-02c6a514-45
0.700
PET-UNK-7d68125a-1
0.695
ALP-POS-95f71980-18
0.694
ALP-POS-305f6ec3-19
0.694
ALP-POS-305f6ec3-42
0.690
ALP-UNI-c3ef0aba-3
0.688
ALP-POS-305f6ec3-4
0.687
ALP-POS-305f6ec3-23
0.687
ALP-POS-305f6ec3-17
0.680
ALP-POS-305f6ec3-51
0.680
ALP-POS-02c6a514-17
0.677
ALP-POS-305f6ec3-10
0.676
ALP-POS-305f6ec3-16
0.676
ALP-POS-305f6ec3-45
0.676
ALP-POS-305f6ec3-1
0.670
ALP-POS-305f6ec3-18
0.670
ALP-POS-95f71980-11
0.670
ALP-POS-305f6ec3-5
0.660
ALP-POS-02c6a514-51
0.660
ALP-UNI-fe744232-18
0.657
WIL-UNI-354943b6-10
0.657
ALP-POS-305f6ec3-7
0.654
ALP-POS-305f6ec3-36
0.654
LON-WEI-babf2c61-9
0.653
ALP-POS-305f6ec3-47
0.651
ALP-POS-305f6ec3-21
0.645
ALP-POS-ced8ea4d-28
0.639
ALP-POS-305f6ec3-9
0.639
ALP-POS-305f6ec3-53
0.639
ALP-POS-95f71980-36
0.637
ALP-POS-305f6ec3-30
0.636
PET-UNK-48ab5cd7-6
0.634
ALP-POS-305f6ec3-13
0.633
ALP-POS-305f6ec3-24
0.630
ALP-POS-305f6ec3-31
0.630