Molecular Properties | |
SMILES: | [2H]C([2H])([2H])O[C@@]1(C(=O)Nc2cncc3ccc(F)cc23)CCOc2ccc(Cl)cc21 |
MW: | 389.1 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 60.45 |
cLogP: | 4.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.163757761246012 |
Filter34_isotope
deuterium
Isotopes
PET-UNK-bcc8fd08-1
0.784
PET-UNK-bcc8fd08-3
0.769
MAT-POS-ec6d90b7-4
0.761
EDJ-MED-611d11e7-4
0.761
MAT-POS-a5ef2d74-2
0.761
DAR-DIA-e7614d05-2
0.670
ALP-POS-93b3621f-1
0.670
DAR-DIA-e7614d05-3
0.670
DAR-DIA-e7614d05-1
0.670
PET-UNK-49566573-3
0.670
PET-UNK-49566573-4
0.644
JOH-UNI-99d163e5-1
0.635
JOH-UNI-99d163e5-5
0.616
ALP-POS-93b3621f-3
0.610
JOH-UNI-99d163e5-3
0.600
ALF-EVA-82cf4849-11
0.598
PET-UNK-ee8352fa-1
0.596
MAT-POS-96f51285-1
0.596
MAT-POS-24589f88-1
0.596
EDJ-MED-611d11e7-7
0.596
EDJ-MED-611d11e7-1
0.590
MAT-POS-96f51285-2
0.590
EDJ-MED-d08626de-2
0.588
PET-UNK-29afea89-2
0.588
EDJ-MED-d08626de-1
0.588
EDG-MED-0e5afe9d-3
0.588
EDG-MED-10fcb19e-5
0.587
PET-UNK-03fd2068-7
0.586
EDG-MED-4c68219f-12
0.584
RAL-THA-58fba2bc-2
0.584
MIC-UNK-ddc6ad53-1
0.584
PET-UNK-10c83c8b-1
0.580
PET-UNK-5d7c542f-1
0.580
ALP-POS-6f6ae286-3
0.580
ALF-EVA-82cf4849-8
0.573
ED_-GRI-5b13fbe2-72
0.569
RAL-THA-58fba2bc-4
0.569
EDG-MED-4c68219f-6
0.569
PET-UNK-a7639856-1
0.567
EDG-MED-10fcb19e-1
0.567
EDG-MED-10fcb19e-3
0.567
PET-UNK-824b5c6a-1
0.564
MIC-UNK-ddc6ad53-3
0.562
ALF-EVA-82cf4849-13
0.562
PET-UNK-bcc8fd08-5
0.562
ALF-EVA-82cf4849-4
0.560
PET-UNK-824b5c6a-3
0.559
PET-UNK-b38839dc-19
0.559
JOH-UNI-99d163e5-7
0.558
EDG-MED-4c68219f-10
0.553
PET-UNK-ee8352fa-2
0.553
ED_-GRI-5b13fbe2-40
0.552
ED_-GRI-5b13fbe2-41
0.552
ALF-EVA-82cf4849-12
0.551
MIC-UNK-ddc6ad53-2
0.551
MAT-POS-a5ef2d74-3
0.550
PET-UNK-f4e47ebd-17
0.550
EDJ-MED-611d11e7-10
0.550
PET-UNK-824b5c6a-2
0.548
PET-UNK-3bb57da2-3
0.548
PET-UNK-acd70dee-1
0.547
PET-UNK-acd70dee-5
0.547
PET-UNK-acd70dee-3
0.546
PET-UNK-a7639856-2
0.543
MIC-UNK-5d22d78d-1
0.543
PET-UNK-3bb57da2-1
0.543
ED_-GRI-5b13fbe2-42
0.542
MIC-UNK-5d22d78d-3
0.542
ED_-GRI-5b13fbe2-69
0.542
ED_-GRI-5b13fbe2-71
0.542
ED_-GRI-5b13fbe2-43
0.542
ED_-GRI-5b13fbe2-70
0.542
EDG-MED-4c68219f-16
0.538
ED_-GRI-5b13fbe2-68
0.538
ED_-GRI-5b13fbe2-47
0.537
MIC-UNK-5d22d78d-4
0.537
CHO-MSK-5891c1ff-8
0.536
EDJ-MED-28ec730d-3
0.533
PET-UNK-3bb57da2-2
0.533
PET-UNK-5d7c542f-4
0.533
PET-UNK-0cc03aae-5
0.533
ED_-GRI-5b13fbe2-14
0.532
EDG-MED-4c68219f-11
0.531
PET-UNK-f4e47ebd-18
0.529
PET-UNK-b38839dc-20
0.529
PET-UNK-4880b143-1
0.528
PET-UNK-49566573-1
0.528
MIC-UNK-5d22d78d-2
0.528
PET-UNK-d9de6a0b-1
0.528
ED_-GRI-5b13fbe2-30
0.528
PET-UNK-0cc03aae-1
0.528
ED_-GRI-5b13fbe2-29
0.527
ED_-GRI-5b13fbe2-48
0.527
CHO-MSK-5891c1ff-10
0.527
PET-UNK-acd70dee-2
0.527
CHO-MSK-5891c1ff-9
0.527
PET-UNK-5d7c542f-2
0.524
PET-UNK-ee8352fa-3
0.524
PET-UNK-e5587e5d-1
0.523
PET-UNK-b78139fa-16
0.520