Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2cc(O)cc(=O)o2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 543.22 |
Fraction sp3: | 0.23 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 112.74 |
cLogP: | 4.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Filter14_thio_oxopyrylium_salt
Long aliphatic chain
ALP-POS-95f71980-6
0.747
MAT-POS-f2460aef-4
0.737
LON-WEI-2e27a2e5-1
0.732
ALP-POS-95f71980-21
0.732
MAT-POS-f2460aef-1
0.732
MAT-POS-f2460aef-2
0.732
ALP-POS-305f6ec3-4
0.718
ALP-POS-305f6ec3-49
0.717
ALP-POS-305f6ec3-18
0.717
ALP-POS-95f71980-17
0.707
LON-WEI-2e27a2e5-2
0.701
ALP-POS-02c6a514-11
0.694
ALP-POS-305f6ec3-59
0.683
ALP-POS-95f71980-4
0.683
ALP-POS-02c6a514-12
0.683
ALP-POS-02c6a514-26
0.680
ALP-POS-305f6ec3-2
0.680
ALP-POS-305f6ec3-44
0.676
ALP-POS-305f6ec3-46
0.676
ALP-POS-95f71980-2
0.673
ALP-POS-305f6ec3-40
0.673
ALP-POS-305f6ec3-6
0.670
ALP-POS-95f71980-25
0.670
ALP-POS-02c6a514-49
0.670
ALP-POS-02c6a514-50
0.670
ALP-POS-02c6a514-52
0.667
ALP-POS-305f6ec3-33
0.667
ALP-POS-305f6ec3-56
0.663
ALP-POS-95f71980-23
0.663
PET-UNK-7d68125a-4
0.663
ALP-POS-305f6ec3-41
0.660
PET-UNK-48ab5cd7-3
0.660
PET-UNK-48ab5cd7-2
0.660
ALP-POS-305f6ec3-27
0.660
ALP-POS-02c6a514-22
0.660
LON-POS-586a7c45-1
0.660
PAU-WEI-5b8d5051-1
0.660
LON-WEI-adc59df6-47
0.660
PAU-WEI-5b8d5051-2
0.660
ALP-POS-305f6ec3-39
0.657
ALP-POS-305f6ec3-3
0.657
ALP-POS-305f6ec3-52
0.657
ALP-POS-305f6ec3-35
0.654
ALP-POS-305f6ec3-48
0.654
PET-UNK-48ab5cd7-1
0.654
ALP-POS-305f6ec3-55
0.654
ALP-POS-95f71980-7
0.654
ALP-POS-95f71980-22
0.654
ALP-POS-95f71980-24
0.654
ALP-POS-02c6a514-25
0.654
MAT-POS-f2460aef-3
0.654
ALP-POS-02c6a514-46
0.654
ALP-POS-305f6ec3-14
0.654
MAT-POS-f2460aef-5
0.654
ALP-POS-02c6a514-6
0.654
ALP-POS-305f6ec3-30
0.652
ALP-POS-305f6ec3-28
0.651
ALP-POS-305f6ec3-57
0.651
ALP-POS-95f71980-29
0.648
ALP-POS-02c6a514-33
0.648
ALP-POS-305f6ec3-19
0.645
ALP-POS-305f6ec3-20
0.645
ALP-POS-305f6ec3-50
0.645
ALP-POS-02c6a514-40
0.645
ALP-POS-305f6ec3-42
0.642
ALP-POS-305f6ec3-38
0.642
PET-UNK-7d68125a-2
0.641
PET-UNK-7d68125a-3
0.641
ALP-POS-305f6ec3-12
0.639
ALP-UNI-c3ef0aba-3
0.638
ALP-POS-305f6ec3-47
0.637
JOE-NOR-4e4adc6b-1
0.635
ALP-POS-305f6ec3-51
0.633
ALP-POS-305f6ec3-10
0.631
ALP-POS-305f6ec3-45
0.631
ALP-POS-305f6ec3-54
0.630
ALP-POS-02c6a514-17
0.630
PET-UNK-7d68125a-1
0.629
ALP-POS-305f6ec3-7
0.625
ALP-POS-305f6ec3-23
0.624
ALP-POS-02c6a514-45
0.622
PET-UNK-48ab5cd7-6
0.620
ALP-POS-305f6ec3-17
0.618
ALP-POS-305f6ec3-5
0.616
ALP-POS-305f6ec3-16
0.616
ALF-EVA-719172df-6
0.612
ALP-POS-305f6ec3-1
0.611
ALP-POS-305f6ec3-36
0.611
ALP-POS-95f71980-11
0.611
ALP-POS-305f6ec3-24
0.603
ALP-POS-305f6ec3-31
0.603
ALP-POS-305f6ec3-32
0.603
ALP-POS-02c6a514-51
0.600
ALP-UNI-fe744232-18
0.596
ALP-POS-02c6a514-38
0.590
ALP-POS-b0bc6a46-23
0.590
ALP-POS-305f6ec3-8
0.590
ALP-POS-305f6ec3-21
0.590
ALP-POS-305f6ec3-37
0.588
ALP-POS-305f6ec3-53
0.585