Molecular Properties | |
SMILES: | CO[C@]1(C(=O)Nc2cncc3ccccc23)CCOc2cc(F)c(Cl)cc21 |
MW: | 386.08 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 4.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.124498126398096 |
Order Status | |
Shipped: | 2021-03-17 |
MAT-POS-993cdc78-1
1.000
ALP-POS-fe871b40-11
1.000
EDJ-MED-37aac4bd-1
0.810
MAT-POS-78e1d523-3
0.810
EDJ-MED-d08626de-3
0.810
MAT-POS-78e1d523-4
0.810
EDJ-MED-d08626de-4
0.810
EDJ-MED-d08626de-5
0.810
PET-UNK-03fd2068-7
0.793
VLA-UNK-a5257d84-1
0.759
PET-UNK-03fd2068-8
0.756
PET-UNK-f4e47ebd-21
0.753
PET-UNK-f4e47ebd-20
0.744
EDJ-MED-93390d0c-4
0.731
EDJ-MED-93390d0c-3
0.720
EDJ-MED-d08626de-1
0.719
PET-UNK-29afea89-2
0.719
EDG-MED-0e5afe9d-3
0.719
EDJ-MED-d08626de-2
0.719
PET-UNK-f4e47ebd-23
0.684
PET-UNK-f4e47ebd-22
0.674
MIC-UNK-ea4eb352-12
0.656
MIC-UNK-ea4eb352-11
0.642
ALP-POS-fe871b40-12
0.642
PET-UNK-81b485b5-15
0.642
NIR-THE-3fc2bec4-1
0.642
PET-UNK-81b485b5-1
0.642
MAT-POS-932d1078-3
0.621
MAT-POS-932d1078-2
0.621
EDJ-MED-37aac4bd-4
0.621
MIC-UNK-ea4eb352-9
0.612
PET-UNK-c0891748-7
0.611
ALP-POS-fe871b40-7
0.611
EDJ-MED-37aac4bd-5
0.611
PET-UNK-c0891748-1
0.611
MAR-UCB-6ab2ec87-3
0.596
EDJ-MED-611d11e7-4
0.588
MAT-POS-ec6d90b7-4
0.588
MAT-POS-a5ef2d74-2
0.588
PET-UNK-3bb57da2-3
0.584
MIC-UNK-ea4eb352-8
0.583
ALP-POS-fe871b40-3
0.580
DAR-DIA-e7614d05-1
0.576
DAR-DIA-e7614d05-2
0.576
ALP-POS-93b3621f-1
0.576
DAR-DIA-e7614d05-3
0.576
PET-UNK-10c83c8b-1
0.570
PET-UNK-824b5c6a-1
0.570
PET-UNK-824b5c6a-2
0.569
EDJ-MED-4f704dc9-1
0.567
MIC-UNK-ea4eb352-7
0.567
PET-UNK-824b5c6a-3
0.564
PET-UNK-1b92fa34-7
0.564
PET-UNK-9b23ef84-1
0.564
PET-UNK-49566573-1
0.562
PET-UNK-bcc8fd08-1
0.560
RAL-THA-58fba2bc-2
0.559
EDG-MED-4c68219f-10
0.559
EDG-MED-4c68219f-12
0.559
EDG-MED-4c68219f-6
0.559
RAL-THA-58fba2bc-4
0.559
MIC-UNK-ddc6ad53-1
0.559
ED_-GRI-5b13fbe2-72
0.559
ED_-GRI-5b13fbe2-68
0.558
ED_-GRI-5b13fbe2-41
0.558
EDG-MED-4c68219f-16
0.558
ED_-GRI-5b13fbe2-40
0.558
MIC-UNK-ea4eb352-3
0.556
MAT-POS-d8472c4f-3
0.556
EDJ-MED-37aac4bd-2
0.554
MAT-POS-932d1078-4
0.554
MAT-POS-932d1078-5
0.554
PET-UNK-5d7c542f-1
0.554
ALP-POS-6f6ae286-3
0.554
PET-UNK-acd70dee-1
0.552
MIC-UNK-ddc6ad53-3
0.552
PET-UNK-0cc03aae-5
0.552
MIC-UNK-ea4eb352-4
0.551
PET-UNK-3bb57da2-1
0.548
PET-UNK-0cc03aae-1
0.547
PET-UNK-4880b143-1
0.547
ED_-GRI-5b13fbe2-43
0.547
ED_-GRI-5b13fbe2-42
0.547
ED_-GRI-5b13fbe2-29
0.546
MIC-UNK-ea4eb352-5
0.545
EDJ-MED-841e0cf0-2
0.543
EDJ-MED-670ad2ee-2
0.543
MIC-UNK-ea4eb352-10
0.543
ED_-GRI-5b13fbe2-47
0.542
PET-UNK-e5587e5d-1
0.542
MIC-UNK-ddc6ad53-2
0.542
PET-UNK-9b23ef84-13
0.541
PET-UNK-5d7c542f-4
0.538
PET-UNK-3bb57da2-2
0.538
EDJ-MED-28ec730d-3
0.538
PET-UNK-5d7c542f-3
0.537
MIC-UNK-ea4eb352-1
0.535
PET-UNK-c0891748-3
0.535
PET-UNK-c0891748-5
0.535
PET-UNK-c0891748-9
0.535