Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)C2CCCO2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 503.26 |
Fraction sp3: | 0.37 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 71.53 |
cLogP: | 5.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 5.56195529503814 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-780445ae-10
0.823
ALP-POS-02c6a514-51
0.725
ALP-POS-780445ae-9
0.687
LON-WEI-2e27a2e5-2
0.684
PAU-WEI-5b8d5051-2
0.677
ALP-POS-02c6a514-11
0.677
ALP-POS-95f71980-4
0.667
MAT-POS-f2460aef-1
0.663
PET-UNK-7d68125a-4
0.663
ALP-POS-95f71980-21
0.663
LON-WEI-2e27a2e5-1
0.663
MAT-POS-f2460aef-2
0.663
ALP-POS-02c6a514-26
0.663
LON-POS-586a7c45-1
0.660
PAU-WEI-5b8d5051-1
0.660
LON-WEI-adc59df6-47
0.660
ALP-POS-02c6a514-25
0.654
ALP-POS-305f6ec3-49
0.650
ALP-POS-02c6a514-12
0.650
ALP-POS-95f71980-6
0.648
PET-UNK-7d68125a-1
0.644
ALP-POS-305f6ec3-44
0.644
ALP-POS-305f6ec3-40
0.642
ALP-POS-95f71980-2
0.641
ALP-POS-95f71980-17
0.641
PET-UNK-7d68125a-2
0.641
PET-UNK-7d68125a-3
0.641
ALP-POS-305f6ec3-35
0.639
MAT-POS-f2460aef-4
0.638
MAT-POS-f2460aef-5
0.638
ALP-POS-95f71980-25
0.638
PET-UNK-48ab5cd7-1
0.638
ALP-POS-02c6a514-50
0.638
ALP-POS-305f6ec3-55
0.638
ALP-POS-02c6a514-49
0.638
JOE-NOR-4e4adc6b-1
0.635
ALP-POS-305f6ec3-59
0.635
ALP-POS-02c6a514-52
0.635
ALP-POS-02c6a514-33
0.632
ALP-POS-95f71980-29
0.632
ALP-POS-95f71980-18
0.630
PET-UNK-48ab5cd7-2
0.629
ALP-POS-02c6a514-22
0.629
ALP-POS-305f6ec3-41
0.629
ALP-POS-305f6ec3-46
0.629
ALP-POS-305f6ec3-27
0.629
PET-UNK-48ab5cd7-3
0.629
ALP-POS-305f6ec3-3
0.626
ALP-POS-305f6ec3-38
0.626
ALP-POS-305f6ec3-52
0.626
ALP-POS-305f6ec3-7
0.625
ALP-POS-95f71980-7
0.623
ALP-POS-02c6a514-6
0.623
ALP-POS-305f6ec3-6
0.623
ALP-POS-305f6ec3-48
0.623
ALP-UNI-c3ef0aba-3
0.623
ALP-POS-95f71980-22
0.623
ALP-POS-95f71980-24
0.623
MAT-POS-f2460aef-3
0.623
ALP-POS-02c6a514-46
0.623
ALP-POS-305f6ec3-14
0.623
ALP-POS-305f6ec3-2
0.617
ALP-POS-95f71980-23
0.617
ALP-POS-305f6ec3-56
0.617
ALP-POS-305f6ec3-5
0.616
ALP-POS-02c6a514-40
0.615
ALP-POS-305f6ec3-54
0.615
ALP-POS-305f6ec3-19
0.615
ALP-POS-305f6ec3-39
0.611
ALP-POS-305f6ec3-1
0.611
ALP-POS-305f6ec3-4
0.609
ALP-POS-305f6ec3-23
0.609
ALP-POS-305f6ec3-47
0.609
ALP-POS-305f6ec3-28
0.606
ALP-POS-305f6ec3-57
0.606
ALP-POS-305f6ec3-33
0.606
ALP-POS-305f6ec3-17
0.604
ALP-POS-305f6ec3-51
0.604
ALP-POS-95f71980-19
0.602
ALP-POS-305f6ec3-50
0.600
ALP-POS-305f6ec3-20
0.600
ALP-POS-305f6ec3-42
0.598
ALP-POS-305f6ec3-29
0.597
ALP-POS-305f6ec3-58
0.597
ALP-POS-305f6ec3-18
0.596
ALP-POS-305f6ec3-12
0.595
ALP-POS-02c6a514-45
0.593
ALP-POS-305f6ec3-22
0.592
ALP-POS-305f6ec3-26
0.592
ALP-POS-305f6ec3-16
0.588
ALP-POS-305f6ec3-45
0.588
ALP-POS-305f6ec3-11
0.583
ALP-POS-305f6ec3-36
0.583
ALP-POS-95f71980-11
0.583
ALP-POS-305f6ec3-30
0.581
LON-WEI-babf2c61-9
0.575
ALP-POS-305f6ec3-37
0.575
ALP-POS-305f6ec3-10
0.574
ALP-UNI-fe744232-18
0.568
PET-UNK-48ab5cd7-6
0.562