Molecular Properties | |
SMILES: | Cn1cncc1C(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1 |
MW: | 513.25 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 80.12 |
cLogP: | 5.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-305f6ec3-56
0.806
ALP-POS-305f6ec3-27
0.785
ALP-POS-305f6ec3-55
0.758
ALP-POS-305f6ec3-57
0.753
ALP-POS-305f6ec3-46
0.747
LON-WEI-2e27a2e5-2
0.739
ALP-POS-305f6ec3-12
0.737
ALP-POS-02c6a514-11
0.731
ALP-POS-305f6ec3-50
0.727
ALP-POS-95f71980-2
0.726
ALP-POS-02c6a514-50
0.722
MAT-POS-f2460aef-3
0.722
ALP-POS-02c6a514-46
0.722
ALP-POS-305f6ec3-48
0.722
ALP-POS-02c6a514-12
0.719
ALP-POS-305f6ec3-59
0.719
MAT-POS-f2460aef-2
0.716
MAT-POS-f2460aef-1
0.716
ALP-POS-02c6a514-26
0.716
ALP-POS-95f71980-21
0.716
LON-WEI-2e27a2e5-1
0.716
ALP-POS-305f6ec3-2
0.714
PET-UNK-48ab5cd7-3
0.711
PET-UNK-48ab5cd7-2
0.711
ALP-POS-95f71980-17
0.708
ALP-POS-305f6ec3-6
0.704
ALP-POS-95f71980-25
0.704
ALP-POS-02c6a514-49
0.704
PET-UNK-48ab5cd7-1
0.704
ALP-POS-95f71980-22
0.704
ALP-POS-02c6a514-52
0.701
ALP-POS-305f6ec3-49
0.701
ALP-POS-95f71980-4
0.701
ALP-POS-95f71980-23
0.697
ALP-POS-95f71980-29
0.697
LON-POS-586a7c45-1
0.695
LON-WEI-adc59df6-47
0.695
PAU-WEI-5b8d5051-1
0.695
PAU-WEI-5b8d5051-2
0.695
ALP-POS-305f6ec3-41
0.694
ALP-POS-305f6ec3-44
0.694
ALP-POS-305f6ec3-19
0.693
ALP-POS-305f6ec3-54
0.693
ALP-POS-305f6ec3-24
0.692
ALP-POS-305f6ec3-3
0.690
MAT-POS-f2460aef-4
0.687
MAT-POS-f2460aef-5
0.687
ALP-POS-02c6a514-25
0.687
ALP-POS-02c6a514-6
0.687
ALP-POS-305f6ec3-14
0.687
ALP-POS-95f71980-7
0.687
ALP-POS-95f71980-24
0.687
ALP-POS-305f6ec3-33
0.683
PET-UNK-7d68125a-4
0.680
ALP-POS-02c6a514-33
0.680
ALP-POS-95f71980-6
0.680
PET-UNK-7d68125a-1
0.677
PET-UNK-7d68125a-2
0.673
PET-UNK-7d68125a-3
0.673
ALP-POS-305f6ec3-52
0.673
ALP-POS-305f6ec3-39
0.673
ALP-POS-305f6ec3-38
0.673
ALP-POS-305f6ec3-40
0.673
ALP-POS-305f6ec3-4
0.670
JOE-NOR-4e4adc6b-1
0.667
ALP-POS-305f6ec3-28
0.667
ALP-POS-305f6ec3-17
0.663
ALP-POS-305f6ec3-26
0.661
ALP-POS-305f6ec3-20
0.660
ALP-POS-02c6a514-40
0.660
ALP-POS-95f71980-18
0.660
ALP-POS-305f6ec3-23
0.654
ALP-POS-305f6ec3-35
0.654
ALP-UNI-c3ef0aba-3
0.653
ALP-POS-305f6ec3-30
0.651
ALP-POS-02c6a514-45
0.651
ALP-POS-305f6ec3-51
0.648
ALP-POS-305f6ec3-10
0.645
ALP-POS-305f6ec3-16
0.645
ALP-POS-305f6ec3-42
0.642
ALP-UNI-fe744232-18
0.641
WIL-UNI-354943b6-10
0.641
ALP-POS-305f6ec3-9
0.640
ALP-POS-305f6ec3-53
0.640
ALP-POS-305f6ec3-8
0.631
ALP-POS-305f6ec3-31
0.631
ALP-POS-305f6ec3-5
0.630
ALP-POS-305f6ec3-45
0.630
ALP-POS-02c6a514-17
0.629
ALP-POS-02c6a514-51
0.629
ALP-POS-305f6ec3-34
0.628
ALP-POS-305f6ec3-18
0.624
ALP-POS-305f6ec3-1
0.624
ALP-POS-305f6ec3-7
0.624
ALP-POS-305f6ec3-36
0.624
ALP-POS-95f71980-11
0.624
ALP-POS-305f6ec3-25
0.623
ALP-POS-95f71980-36
0.623
ALP-POS-305f6ec3-13
0.619
ALP-POS-305f6ec3-32
0.616