Molecular Properties | |
SMILES: | COCCn1nc(C(=O)N(c2ccc(C(C)(C)C)cc2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)ccc1=O |
MW: | 585.28 |
Fraction sp3: | 0.3 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 11 |
TPSA: | 106.42 |
cLogP: | 4.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Filter82_pyridinium
Long aliphatic chain
ALP-POS-305f6ec3-46
0.685
ALP-POS-95f71980-17
0.682
ALP-POS-305f6ec3-12
0.679
ALP-POS-305f6ec3-50
0.670
ALP-POS-305f6ec3-54
0.670
ALP-POS-305f6ec3-55
0.664
ALP-POS-305f6ec3-48
0.664
ALP-POS-02c6a514-50
0.664
ALP-POS-95f71980-4
0.661
ALP-POS-305f6ec3-14
0.649
MAT-POS-f2460aef-3
0.649
PET-UNK-48ab5cd7-1
0.649
ALP-POS-95f71980-25
0.649
ALP-POS-305f6ec3-28
0.646
ALP-POS-305f6ec3-57
0.646
LON-WEI-2e27a2e5-2
0.645
ALP-POS-02c6a514-22
0.640
PET-UNK-48ab5cd7-3
0.640
ALP-POS-02c6a514-11
0.639
ALP-POS-95f71980-7
0.634
ALP-POS-02c6a514-25
0.634
ALP-POS-95f71980-24
0.634
MAT-POS-f2460aef-5
0.634
ALP-POS-02c6a514-45
0.632
ALP-POS-305f6ec3-33
0.632
ALP-POS-305f6ec3-56
0.628
ALP-POS-02c6a514-33
0.628
ALP-POS-95f71980-23
0.628
ALP-POS-305f6ec3-2
0.628
LON-WEI-2e27a2e5-1
0.627
MAT-POS-f2460aef-2
0.627
MAT-POS-f2460aef-1
0.627
ALP-POS-02c6a514-26
0.627
ALP-POS-305f6ec3-27
0.625
ALP-POS-305f6ec3-38
0.623
ALP-POS-305f6ec3-49
0.616
ALP-POS-305f6ec3-59
0.616
ALP-POS-02c6a514-12
0.616
ALP-POS-95f71980-21
0.613
ALP-POS-02c6a514-40
0.612
PET-UNK-48ab5cd7-2
0.611
ALP-POS-305f6ec3-52
0.609
ALP-POS-95f71980-2
0.607
ALP-POS-95f71980-22
0.605
ALP-POS-305f6ec3-6
0.605
ALP-POS-305f6ec3-13
0.605
ALP-POS-02c6a514-52
0.602
JOE-NOR-4e4adc6b-1
0.602
ALP-POS-305f6ec3-10
0.600
ALP-POS-95f71980-6
0.600
ALP-POS-95f71980-29
0.600
ALP-POS-305f6ec3-9
0.597
ALP-POS-305f6ec3-41
0.596
ALP-POS-305f6ec3-44
0.596
ALP-POS-305f6ec3-1
0.595
ALP-UNI-fe744232-18
0.595
ALP-POS-305f6ec3-39
0.595
LON-WEI-adc59df6-47
0.595
PAU-WEI-5b8d5051-2
0.595
PAU-WEI-5b8d5051-1
0.595
LON-POS-586a7c45-1
0.595
ALP-POS-305f6ec3-23
0.593
ALP-POS-305f6ec3-35
0.593
PET-UNK-7d68125a-3
0.593
PET-UNK-7d68125a-2
0.593
MAT-POS-f2460aef-4
0.591
ALP-POS-02c6a514-6
0.591
ALP-POS-02c6a514-46
0.591
ALP-POS-02c6a514-49
0.591
ALP-POS-305f6ec3-21
0.589
ALP-POS-95f71980-19
0.587
ALP-POS-305f6ec3-37
0.587
ALP-POS-305f6ec3-45
0.587
ALP-POS-95f71980-18
0.585
ALP-POS-305f6ec3-20
0.585
ALP-POS-305f6ec3-19
0.585
PET-UNK-7d68125a-4
0.584
ALP-POS-305f6ec3-11
0.583
ALP-POS-95f71980-11
0.582
ALP-POS-305f6ec3-36
0.582
WIL-UNI-354943b6-10
0.581
ALP-POS-305f6ec3-3
0.581
ALP-POS-305f6ec3-40
0.581
ALP-POS-95f71980-36
0.580
ALP-POS-305f6ec3-8
0.576
ALP-POS-305f6ec3-51
0.575
ALP-POS-ced8ea4d-52
0.571
ALP-POS-305f6ec3-42
0.570
ALP-UNI-fe744232-30
0.570
ALP-POS-305f6ec3-43
0.569
PET-UNK-7d68125a-1
0.569
ALP-POS-ced8ea4d-19
0.568
ALP-POS-305f6ec3-4
0.567
ALP-POS-305f6ec3-26
0.566
ALP-UNI-c3ef0aba-3
0.564
ALP-POS-305f6ec3-31
0.563
ALP-POS-305f6ec3-24
0.563
ALP-POS-305f6ec3-34
0.562
ALP-POS-305f6ec3-17
0.562
ALP-POS-305f6ec3-16
0.561