Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2coc(CS(C)(=O)=O)n2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 592.22 |
Fraction sp3: | 0.29 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 122.47 |
cLogP: | 4.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 39.2414620334616 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-02c6a514-50
0.712
LON-WEI-2e27a2e5-2
0.693
ALP-POS-95f71980-4
0.692
ALP-POS-95f71980-17
0.683
ALP-POS-95f71980-25
0.679
ALP-POS-95f71980-24
0.679
MAT-POS-f2460aef-2
0.673
MAT-POS-f2460aef-1
0.673
LON-WEI-2e27a2e5-1
0.673
ALP-POS-95f71980-23
0.673
ALP-POS-02c6a514-11
0.670
ALP-POS-305f6ec3-46
0.670
PET-UNK-48ab5cd7-3
0.670
MAT-POS-f2460aef-3
0.664
ALP-POS-305f6ec3-14
0.664
ALP-POS-305f6ec3-48
0.664
PET-UNK-48ab5cd7-1
0.664
ALP-POS-95f71980-7
0.664
ALP-POS-305f6ec3-49
0.660
ALP-POS-02c6a514-12
0.660
ALP-POS-02c6a514-26
0.657
ALP-POS-95f71980-21
0.657
ALP-POS-305f6ec3-41
0.654
ALP-POS-305f6ec3-38
0.651
ALP-POS-95f71980-2
0.651
ALP-POS-95f71980-36
0.649
MAT-POS-f2460aef-5
0.648
ALP-POS-02c6a514-45
0.646
ALP-POS-305f6ec3-33
0.645
ALP-POS-305f6ec3-28
0.645
ALP-POS-95f71980-6
0.642
ALP-POS-305f6ec3-50
0.640
ALP-POS-305f6ec3-54
0.640
ALP-POS-ced8ea4d-11
0.640
ALP-POS-305f6ec3-44
0.639
ALP-UNI-fe744232-18
0.636
PET-UNK-7d68125a-2
0.636
ALP-POS-305f6ec3-12
0.634
MAT-POS-f2460aef-4
0.633
ALP-POS-02c6a514-25
0.633
ALP-POS-305f6ec3-6
0.633
ALP-POS-305f6ec3-59
0.630
ALP-POS-02c6a514-52
0.630
ALP-POS-02c6a514-33
0.627
ALP-POS-305f6ec3-2
0.627
ALP-POS-305f6ec3-19
0.625
PET-UNK-48ab5cd7-2
0.624
ALP-POS-305f6ec3-27
0.624
ALP-POS-02c6a514-22
0.624
LON-WEI-adc59df6-47
0.623
PAU-WEI-5b8d5051-2
0.623
PAU-WEI-5b8d5051-1
0.623
LON-POS-586a7c45-1
0.623
ALP-POS-305f6ec3-52
0.622
ALP-POS-305f6ec3-1
0.621
PET-UNK-7d68125a-3
0.620
ALP-POS-305f6ec3-55
0.618
ALP-POS-02c6a514-6
0.618
ALP-POS-02c6a514-49
0.618
ALP-POS-02c6a514-46
0.618
ALP-POS-95f71980-22
0.618
ALP-POS-305f6ec3-13
0.617
ALP-POS-305f6ec3-57
0.616
ALP-POS-305f6ec3-17
0.614
ALP-POS-ced8ea4d-9
0.613
ALP-POS-305f6ec3-56
0.613
ALP-POS-95f71980-29
0.613
ALP-POS-305f6ec3-10
0.612
ALP-POS-305f6ec3-5
0.612
PET-UNK-7d68125a-4
0.611
ALP-POS-305f6ec3-20
0.611
ALP-POS-95f71980-18
0.611
ALP-POS-305f6ec3-3
0.607
ALP-POS-305f6ec3-39
0.607
ALP-POS-305f6ec3-40
0.607
ALP-POS-305f6ec3-7
0.607
ALP-POS-305f6ec3-4
0.605
JOE-NOR-4e4adc6b-1
0.600
ALP-POS-95f71980-19
0.598
BRU-THA-92256091-20
0.596
ALP-POS-02c6a514-40
0.596
PET-UNK-7d68125a-1
0.595
ALP-POS-ced8ea4d-27
0.595
ALP-POS-ced8ea4d-19
0.593
WIL-UNI-354943b6-10
0.593
ALP-POS-305f6ec3-23
0.591
ALP-POS-305f6ec3-35
0.591
ALP-POS-d0876c20-17
0.591
ALP-UNI-c3ef0aba-3
0.589
ALP-POS-305f6ec3-21
0.587
ALP-POS-305f6ec3-51
0.586
ALP-POS-305f6ec3-37
0.585
ALP-POS-305f6ec3-16
0.585
ALP-POS-305f6ec3-45
0.585
ALP-POS-02c6a514-17
0.583
ALP-POS-ced8ea4d-5
0.583
ALP-POS-305f6ec3-53
0.582
ALP-POS-305f6ec3-9
0.582
ALP-POS-305f6ec3-42
0.581
ALP-POS-305f6ec3-11
0.581