Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2ccn[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 499.24 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 90.98 |
cLogP: | 4.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.77934713772641 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-305f6ec3-59
0.783
ALP-POS-305f6ec3-52
0.768
ALP-POS-305f6ec3-39
0.750
LON-WEI-2e27a2e5-2
0.747
ALP-POS-02c6a514-11
0.739
ALP-POS-95f71980-22
0.729
MAT-POS-f2460aef-5
0.729
ALP-POS-305f6ec3-14
0.729
ALP-POS-305f6ec3-28
0.724
MAT-POS-f2460aef-1
0.723
MAT-POS-f2460aef-2
0.723
ALP-POS-95f71980-21
0.723
LON-WEI-2e27a2e5-1
0.723
ALP-POS-02c6a514-26
0.723
ALP-POS-305f6ec3-44
0.719
PET-UNK-48ab5cd7-2
0.719
ALP-POS-95f71980-2
0.716
ALP-POS-95f71980-17
0.716
ALP-POS-305f6ec3-38
0.714
ALP-POS-305f6ec3-6
0.711
PET-UNK-48ab5cd7-1
0.711
MAT-POS-f2460aef-3
0.711
ALP-POS-02c6a514-46
0.711
ALP-POS-305f6ec3-49
0.708
ALP-POS-95f71980-4
0.708
ALP-POS-02c6a514-12
0.708
ALP-POS-305f6ec3-2
0.704
LON-POS-586a7c45-1
0.702
LON-WEI-adc59df6-47
0.702
PAU-WEI-5b8d5051-1
0.702
PAU-WEI-5b8d5051-2
0.702
ALP-POS-305f6ec3-41
0.701
ALP-POS-305f6ec3-46
0.701
ALP-POS-02c6a514-22
0.701
ALP-POS-305f6ec3-27
0.701
PET-UNK-48ab5cd7-3
0.701
ALP-POS-305f6ec3-55
0.694
ALP-POS-02c6a514-49
0.694
MAT-POS-f2460aef-4
0.694
ALP-POS-305f6ec3-48
0.694
ALP-POS-95f71980-7
0.694
ALP-POS-95f71980-24
0.694
ALP-POS-95f71980-25
0.694
ALP-POS-02c6a514-6
0.694
ALP-POS-02c6a514-25
0.694
ALP-POS-02c6a514-50
0.694
ALP-POS-305f6ec3-35
0.693
ALP-POS-305f6ec3-57
0.690
ALP-POS-305f6ec3-33
0.690
PET-UNK-7d68125a-4
0.688
ALP-POS-95f71980-6
0.687
ALP-POS-95f71980-29
0.687
ALP-POS-95f71980-23
0.687
ALP-POS-02c6a514-33
0.687
ALP-POS-305f6ec3-56
0.687
ALP-POS-305f6ec3-51
0.686
ALP-POS-305f6ec3-19
0.683
ALP-POS-305f6ec3-20
0.683
PET-UNK-7d68125a-2
0.680
PET-UNK-7d68125a-3
0.680
ALP-POS-305f6ec3-3
0.680
ALP-POS-305f6ec3-40
0.680
ALP-UNI-c3ef0aba-3
0.677
JOE-NOR-4e4adc6b-1
0.673
ALP-POS-305f6ec3-31
0.667
ALP-POS-95f71980-18
0.667
ALP-POS-02c6a514-40
0.667
ALP-POS-305f6ec3-54
0.667
PET-UNK-7d68125a-1
0.667
ALP-POS-305f6ec3-16
0.667
ALP-POS-305f6ec3-50
0.667
ALP-POS-305f6ec3-42
0.663
ALP-POS-305f6ec3-4
0.660
ALP-POS-305f6ec3-12
0.660
ALP-POS-305f6ec3-23
0.660
ALP-POS-305f6ec3-17
0.654
ALP-POS-305f6ec3-45
0.651
ALP-POS-02c6a514-51
0.650
ALP-POS-305f6ec3-1
0.645
ALP-POS-02c6a514-45
0.642
ALP-POS-e980f4ea-27
0.636
ALP-POS-305f6ec3-5
0.636
ALP-POS-305f6ec3-10
0.636
ALP-POS-02c6a514-17
0.635
WIL-UNI-354943b6-10
0.631
ALP-POS-305f6ec3-9
0.631
ALP-POS-305f6ec3-36
0.630
ALP-POS-305f6ec3-7
0.630
ALP-POS-305f6ec3-18
0.630
ALP-POS-95f71980-11
0.630
ALP-POS-305f6ec3-8
0.622
ALP-POS-305f6ec3-32
0.622
ALP-POS-305f6ec3-34
0.619
ALP-POS-e980f4ea-19
0.618
ALP-POS-e980f4ea-9
0.618
ALP-POS-e980f4ea-28
0.616
ALP-POS-e980f4ea-11
0.615
ALP-UNI-fe744232-18
0.615
ALP-POS-305f6ec3-47
0.613
ALP-POS-305f6ec3-30
0.613