Molecular Properties | |
SMILES: | Cn1cc(C(C(=O)NCCc2cccc(F)c2)N(C(=O)c2cocn2)c2ccc(C(C)(C)C)cc2)ccc1=O |
MW: | 530.23 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 97.44 |
cLogP: | 4.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Filter82_pyridinium
Long aliphatic chain
ALP-POS-d0876c20-17
0.724
ALP-POS-d0876c20-5
0.717
ALP-POS-d0876c20-14
0.710
ALP-POS-02c6a514-50
0.703
ALP-POS-d0876c20-20
0.689
ALP-POS-d0876c20-11
0.676
ALP-POS-d0876c20-24
0.667
ALP-POS-d0876c20-13
0.667
ALP-POS-d0876c20-21
0.654
ALP-POS-d0876c20-12
0.651
ALP-POS-d0876c20-10
0.648
ALP-POS-d0876c20-23
0.640
ALP-POS-d0876c20-7
0.639
ALP-POS-d0876c20-16
0.636
ALP-POS-d0876c20-2
0.633
ALP-POS-d0876c20-9
0.633
ALP-POS-d0876c20-4
0.632
ALP-POS-d0876c20-1
0.630
ALP-UNI-fe744232-18
0.626
ALP-POS-d0876c20-15
0.624
ALP-POS-95f71980-36
0.609
ALP-POS-d0876c20-19
0.607
ALP-POS-d9b6304e-1
0.605
ALP-POS-a2344586-2
0.605
ALP-POS-305f6ec3-50
0.600
ALP-POS-d0876c20-18
0.596
ALP-POS-305f6ec3-12
0.595
ALP-POS-d0876c20-6
0.583
ALP-POS-ced8ea4d-27
0.583
ALP-UNI-fe744232-9
0.580
ALP-UNI-fe744232-3
0.577
ALP-POS-ced8ea4d-9
0.573
ALP-POS-d0876c20-8
0.570
ALP-UNI-fe744232-15
0.570
ALP-POS-ced8ea4d-19
0.568
ALP-POS-ced8ea4d-16
0.565
ALP-UNI-fe744232-17
0.565
ALP-POS-ced8ea4d-28
0.565
ALP-POS-ced8ea4d-67
0.562
ALP-POS-95f71980-10
0.559
ALP-POS-ced8ea4d-52
0.558
ALP-POS-ced8ea4d-5
0.558
ALP-POS-ced8ea4d-11
0.558
ALP-UNI-fe744232-14
0.558
ALP-POS-ced8ea4d-12
0.553
ALP-POS-ced8ea4d-51
0.553
ALP-UNI-fe744232-19
0.551
ALP-POS-305f6ec3-48
0.550
MAT-POS-f2460aef-3
0.550
ALP-POS-ced8ea4d-62
0.548
ALP-UNI-fe744232-12
0.548
ALP-POS-95f71980-37
0.548
ALP-POS-d0876c20-22
0.548
ALP-POS-305f6ec3-56
0.545
ALP-UNI-fe744232-22
0.543
ALP-UNI-fe744232-30
0.543
ALP-POS-95f71980-27
0.542
ALP-POS-95f71980-35
0.542
ALP-POS-95f71980-15
0.541
ALP-POS-305f6ec3-46
0.541
ALP-UNI-fe744232-1
0.538
ALP-POS-95f71980-3
0.538
ALP-POS-ced8ea4d-17
0.538
ALP-POS-95f71980-17
0.536
PET-UNK-48ab5cd7-1
0.536
ALP-POS-ced8ea4d-37
0.535
ALP-POS-305f6ec3-53
0.533
ALP-POS-95f71980-4
0.532
ALP-UNI-fe744232-11
0.529
ALP-POS-95f71980-34
0.529
PET-UNK-48ab5cd7-3
0.527
ALP-POS-02c6a514-22
0.527
ALP-POS-02c6a514-45
0.525
ALP-POS-ced8ea4d-20
0.525
ALP-POS-ced8ea4d-38
0.525
ALP-POS-95f71980-25
0.522
MAT-POS-f2460aef-5
0.522
ALP-POS-95f71980-7
0.522
ALP-POS-305f6ec3-55
0.522
ALP-POS-305f6ec3-33
0.522
ALP-POS-305f6ec3-57
0.522
ALP-UNI-fe744232-25
0.521
ALP-POS-95f71980-33
0.521
ALP-POS-95f71980-23
0.518
ALP-POS-ced8ea4d-49
0.517
ALP-POS-ced8ea4d-39
0.517
ALP-POS-ced8ea4d-10
0.517
ALP-UNI-fe744232-13
0.516
ALP-POS-95f71980-28
0.516
LON-WEI-2e27a2e5-2
0.514
ALP-POS-305f6ec3-27
0.513
ALP-POS-95f71980-14
0.513
ALP-POS-ced8ea4d-1
0.512
ALP-POS-95f71980-38
0.512
MAT-POS-02ae579f-1
0.509
ALP-POS-02c6a514-11
0.509
ALP-POS-305f6ec3-14
0.509
ALP-POS-95f71980-24
0.509
ALP-POS-305f6ec3-28
0.509
ALP-POS-95f71980-5
0.508