Molecular Properties | |
SMILES: | Cn1c(=O)c2cc(C(=O)N(c3ccc(C(C)(C)C)cc3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)n(C)c2n(C)c1=O |
MW: | 624.29 |
Fraction sp3: | 0.29 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 111.23 |
cLogP: | 4.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Filter82_pyridinium
Long aliphatic chain
ALP-POS-305f6ec3-56
0.710
ALP-POS-305f6ec3-57
0.697
ALP-POS-02c6a514-22
0.692
ALP-POS-305f6ec3-27
0.676
ALP-POS-305f6ec3-46
0.645
ALP-POS-305f6ec3-55
0.640
ALP-POS-02c6a514-12
0.636
LON-WEI-2e27a2e5-2
0.636
ALP-POS-305f6ec3-2
0.634
ALP-POS-95f71980-21
0.633
LON-WEI-2e27a2e5-1
0.633
MAT-POS-f2460aef-2
0.633
MAT-POS-f2460aef-1
0.633
ALP-POS-305f6ec3-50
0.632
PET-UNK-48ab5cd7-2
0.631
ALP-POS-02c6a514-11
0.630
ALP-POS-95f71980-17
0.627
ALP-POS-305f6ec3-12
0.626
ALP-POS-02c6a514-46
0.625
ALP-POS-02c6a514-49
0.625
ALP-POS-02c6a514-50
0.625
MAT-POS-f2460aef-3
0.625
ALP-POS-305f6ec3-48
0.625
ALP-POS-305f6ec3-49
0.622
ALP-POS-305f6ec3-59
0.622
ALP-POS-95f71980-6
0.619
ALP-POS-02c6a514-26
0.618
PET-UNK-48ab5cd7-3
0.616
ALP-POS-305f6ec3-40
0.614
ALP-POS-95f71980-2
0.613
MAT-POS-f2460aef-5
0.611
MAT-POS-f2460aef-4
0.611
ALP-POS-02c6a514-6
0.611
ALP-POS-305f6ec3-6
0.611
PET-UNK-48ab5cd7-1
0.611
ALP-POS-305f6ec3-33
0.609
ALP-POS-95f71980-4
0.607
ALP-POS-02c6a514-52
0.607
ALP-POS-95f71980-23
0.605
ALP-POS-95f71980-29
0.605
ALP-POS-95f71980-18
0.603
ALP-POS-305f6ec3-19
0.603
ALP-POS-305f6ec3-41
0.602
ALP-POS-305f6ec3-44
0.602
LON-WEI-adc59df6-47
0.600
LON-POS-586a7c45-1
0.600
PAU-WEI-5b8d5051-1
0.600
PAU-WEI-5b8d5051-2
0.600
ALP-POS-305f6ec3-3
0.600
ALP-POS-305f6ec3-39
0.600
ALP-POS-305f6ec3-52
0.600
ALP-POS-305f6ec3-4
0.598
PET-UNK-7d68125a-3
0.598
ALP-POS-95f71980-7
0.596
ALP-POS-95f71980-25
0.596
ALP-POS-02c6a514-25
0.596
ALP-POS-305f6ec3-14
0.596
ALP-POS-95f71980-22
0.596
ALP-POS-95f71980-24
0.596
ALP-POS-305f6ec3-28
0.595
JOE-NOR-4e4adc6b-1
0.593
ALP-POS-305f6ec3-16
0.592
ALP-POS-02c6a514-33
0.591
ALP-POS-305f6ec3-20
0.590
ALP-POS-02c6a514-40
0.590
ALP-POS-305f6ec3-54
0.590
PET-UNK-7d68125a-4
0.589
ALP-POS-305f6ec3-38
0.586
ALP-POS-305f6ec3-30
0.585
ALP-POS-305f6ec3-35
0.585
PET-UNK-7d68125a-2
0.584
ALP-POS-305f6ec3-13
0.584
ALP-POS-02c6a514-45
0.583
ALP-POS-305f6ec3-26
0.583
ALP-POS-305f6ec3-17
0.580
ALP-POS-305f6ec3-5
0.579
ALP-POS-305f6ec3-45
0.579
ALP-POS-305f6ec3-42
0.575
PET-UNK-7d68125a-1
0.574
ALP-POS-305f6ec3-7
0.574
ALP-POS-305f6ec3-18
0.574
ALP-POS-305f6ec3-23
0.571
ALP-UNI-c3ef0aba-3
0.569
ALP-POS-305f6ec3-31
0.568
ALP-POS-305f6ec3-8
0.568
ALP-POS-305f6ec3-34
0.567
ALP-POS-305f6ec3-51
0.567
ALP-POS-305f6ec3-10
0.566
ALP-POS-305f6ec3-53
0.563
ALP-POS-305f6ec3-36
0.561
WIL-UNI-354943b6-10
0.559
ALP-UNI-fe744232-18
0.559
ALP-POS-305f6ec3-32
0.556
ALP-POS-305f6ec3-37
0.555
PET-UNK-48ab5cd7-6
0.555
ALP-POS-305f6ec3-9
0.551
ALP-POS-02c6a514-17
0.550
ALP-POS-02c6a514-51
0.550
ALP-POS-95f71980-11
0.548
ALP-POS-305f6ec3-1
0.548