Molecular Properties | |
SMILES: | Cn1c(=O)[nH]c(=O)c2ccc(C(=O)N(c3ccc(C(C)(C)C)cc3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)nc21 |
MW: | 608.25 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 130.05 |
cLogP: | 4.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Filter82_pyridinium
Long aliphatic chain
ALP-POS-305f6ec3-57
0.685
ALP-POS-305f6ec3-46
0.664
ALP-POS-95f71980-17
0.661
ALP-POS-305f6ec3-48
0.658
PET-UNK-48ab5cd7-1
0.658
MAT-POS-f2460aef-3
0.658
ALP-POS-305f6ec3-28
0.655
ALP-POS-305f6ec3-50
0.649
PET-UNK-48ab5cd7-3
0.649
ALP-POS-305f6ec3-12
0.643
ALP-POS-02c6a514-50
0.643
ALP-POS-305f6ec3-14
0.643
ALP-POS-95f71980-24
0.643
ALP-POS-305f6ec3-33
0.640
ALP-POS-95f71980-4
0.640
LON-WEI-2e27a2e5-2
0.639
ALP-POS-305f6ec3-2
0.637
ALP-POS-305f6ec3-56
0.637
ALP-POS-02c6a514-11
0.633
ALP-POS-305f6ec3-52
0.632
ALP-POS-305f6ec3-38
0.632
ALP-POS-305f6ec3-35
0.629
ALP-POS-95f71980-25
0.628
ALP-POS-305f6ec3-6
0.628
MAT-POS-f2460aef-5
0.628
ALP-POS-95f71980-7
0.628
ALP-POS-02c6a514-6
0.628
ALP-POS-02c6a514-45
0.627
ALP-POS-305f6ec3-59
0.625
ALP-POS-95f71980-23
0.623
ALP-POS-305f6ec3-45
0.622
ALP-POS-02c6a514-26
0.622
ALP-POS-95f71980-21
0.622
ALP-POS-305f6ec3-20
0.621
ALP-POS-305f6ec3-54
0.621
ALP-POS-305f6ec3-44
0.619
ALP-POS-02c6a514-22
0.619
ALP-POS-305f6ec3-27
0.619
ALP-POS-305f6ec3-39
0.617
ALP-POS-95f71980-11
0.617
ALP-POS-305f6ec3-55
0.614
ALP-POS-02c6a514-52
0.611
ALP-POS-95f71980-6
0.609
ALP-POS-95f71980-19
0.608
LON-WEI-2e27a2e5-1
0.607
MAT-POS-f2460aef-1
0.607
MAT-POS-f2460aef-2
0.607
PET-UNK-48ab5cd7-2
0.605
ALP-POS-305f6ec3-41
0.605
ALP-POS-305f6ec3-42
0.605
ALP-POS-305f6ec3-53
0.605
PAU-WEI-5b8d5051-2
0.604
ALP-POS-95f71980-2
0.602
ALP-POS-02c6a514-25
0.600
ALP-POS-95f71980-22
0.600
ALP-POS-02c6a514-46
0.600
ALP-POS-305f6ec3-49
0.596
ALP-POS-02c6a514-12
0.596
ALP-POS-305f6ec3-10
0.595
ALP-POS-02c6a514-33
0.595
ALP-POS-305f6ec3-1
0.590
WIL-UNI-354943b6-10
0.590
ALP-POS-305f6ec3-3
0.590
ALP-POS-305f6ec3-40
0.590
LON-WEI-adc59df6-47
0.589
PAU-WEI-5b8d5051-1
0.589
LON-POS-586a7c45-1
0.589
MAT-POS-f2460aef-4
0.586
ALP-POS-02c6a514-49
0.586
ALP-POS-305f6ec3-32
0.584
ALP-POS-305f6ec3-24
0.584
ALP-POS-305f6ec3-51
0.583
JOE-NOR-4e4adc6b-1
0.583
ALP-POS-305f6ec3-16
0.582
ALP-POS-95f71980-29
0.581
ALP-POS-02c6a514-40
0.580
ALP-POS-305f6ec3-19
0.580
ALP-POS-95f71980-18
0.580
ALP-POS-305f6ec3-9
0.579
PET-UNK-7d68125a-4
0.579
ALP-UNI-fe744232-18
0.576
ALP-POS-305f6ec3-47
0.576
PET-UNK-7d68125a-3
0.574
PET-UNK-7d68125a-2
0.574
ALP-UNI-c3ef0aba-3
0.573
ALP-POS-305f6ec3-21
0.571
ALP-POS-305f6ec3-31
0.571
ALP-POS-305f6ec3-37
0.570
ALP-POS-305f6ec3-17
0.570
ALP-POS-305f6ec3-11
0.566
ALP-POS-305f6ec3-18
0.565
ALP-POS-305f6ec3-7
0.565
PET-UNK-7d68125a-1
0.564
ALP-POS-305f6ec3-30
0.563
ALP-POS-305f6ec3-23
0.562
ALP-POS-305f6ec3-4
0.562
ALP-POS-95f71980-36
0.562
ALP-POS-305f6ec3-8
0.559
ALP-POS-305f6ec3-5
0.556
BRU-THA-92256091-24
0.556