Molecular Properties | |
SMILES: | Cn1cnc(C(=O)N(c2ccc(C(C)(C)C)cc2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1=O |
MW: | 541.25 |
Fraction sp3: | 0.26 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 97.19 |
cLogP: | 4.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Filter82_pyridinium
Long aliphatic chain
ALP-POS-305f6ec3-50
0.788
ALP-POS-305f6ec3-46
0.755
ALP-POS-02c6a514-50
0.747
ALP-POS-02c6a514-22
0.737
ALP-POS-95f71980-17
0.735
MAT-POS-f2460aef-3
0.730
ALP-POS-305f6ec3-48
0.730
ALP-POS-95f71980-4
0.727
ALP-POS-305f6ec3-56
0.723
PET-UNK-48ab5cd7-3
0.720
ALP-POS-305f6ec3-55
0.713
ALP-POS-95f71980-25
0.713
LON-WEI-2e27a2e5-2
0.711
ALP-POS-305f6ec3-57
0.709
ALP-POS-305f6ec3-33
0.709
ALP-POS-95f71980-23
0.706
ALP-POS-02c6a514-11
0.704
ALP-POS-305f6ec3-27
0.703
ALP-POS-305f6ec3-54
0.702
ALP-POS-95f71980-7
0.696
ALP-POS-95f71980-24
0.696
PET-UNK-48ab5cd7-1
0.696
ALP-POS-305f6ec3-14
0.696
MAT-POS-f2460aef-5
0.696
ALP-POS-305f6ec3-28
0.692
ALP-POS-02c6a514-26
0.690
ALP-POS-305f6ec3-2
0.689
ALP-POS-305f6ec3-38
0.683
ALP-POS-305f6ec3-53
0.679
ALP-POS-305f6ec3-49
0.676
ALP-POS-02c6a514-12
0.676
ALP-POS-305f6ec3-59
0.676
LON-WEI-2e27a2e5-1
0.673
MAT-POS-f2460aef-2
0.673
MAT-POS-f2460aef-1
0.673
ALP-POS-95f71980-21
0.673
ALP-POS-305f6ec3-44
0.670
PET-UNK-48ab5cd7-2
0.670
ALP-POS-95f71980-2
0.667
ALP-POS-305f6ec3-52
0.667
ALP-UNI-fe744232-18
0.667
ALP-POS-02c6a514-46
0.663
ALP-POS-02c6a514-49
0.663
ALP-POS-02c6a514-25
0.663
ALP-POS-95f71980-22
0.663
ALP-POS-305f6ec3-6
0.663
ALP-POS-02c6a514-45
0.661
ALP-POS-02c6a514-52
0.660
ALP-POS-95f71980-6
0.657
ALP-POS-02c6a514-33
0.657
ALP-POS-305f6ec3-10
0.655
ALP-POS-305f6ec3-19
0.654
ALP-POS-305f6ec3-41
0.654
LON-WEI-adc59df6-47
0.653
PAU-WEI-5b8d5051-2
0.653
PAU-WEI-5b8d5051-1
0.653
LON-POS-586a7c45-1
0.653
ALP-POS-305f6ec3-39
0.651
WIL-UNI-354943b6-10
0.651
ALP-POS-305f6ec3-3
0.651
ALP-POS-305f6ec3-9
0.649
ALP-POS-95f71980-36
0.648
MAT-POS-f2460aef-4
0.648
ALP-POS-02c6a514-6
0.648
ALP-POS-305f6ec3-13
0.643
ALP-POS-95f71980-29
0.642
ALP-POS-305f6ec3-26
0.641
PET-UNK-7d68125a-4
0.641
ALP-POS-305f6ec3-20
0.639
ALP-POS-95f71980-18
0.639
PET-UNK-7d68125a-1
0.638
ALP-POS-305f6ec3-40
0.636
PET-UNK-7d68125a-2
0.635
PET-UNK-7d68125a-3
0.635
ALP-POS-95f71980-11
0.634
ALP-POS-305f6ec3-1
0.634
ALP-POS-305f6ec3-4
0.633
ALP-POS-305f6ec3-35
0.633
ALP-POS-305f6ec3-11
0.632
JOE-NOR-4e4adc6b-1
0.629
ALP-POS-305f6ec3-17
0.627
ALP-POS-305f6ec3-21
0.626
ALP-POS-305f6ec3-31
0.626
ALP-POS-305f6ec3-24
0.626
ALP-POS-95f71980-19
0.624
ALP-POS-305f6ec3-37
0.624
ALP-UNI-fe744232-14
0.624
ALP-POS-02c6a514-40
0.624
ALP-POS-ced8ea4d-27
0.623
ALP-POS-305f6ec3-42
0.622
ALP-POS-305f6ec3-23
0.618
ALP-POS-305f6ec3-30
0.617
ALP-UNI-c3ef0aba-3
0.617
ALP-POS-305f6ec3-51
0.613
ALP-POS-305f6ec3-32
0.612
ALP-POS-ced8ea4d-9
0.611
ALP-POS-305f6ec3-16
0.611
ALP-POS-305f6ec3-45
0.611
WIL-UNI-354943b6-7
0.609
BRU-THA-92256091-22
0.607