Molecular Properties | |
SMILES: | C[C@@H]1C[C@@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2O1 |
MW: | 352.1 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.231301767856905 |
IC50 (µM) - RapidFire: | 0.523710411123616 |
Order Status | |
Ordered: | 2020-09-14 |
Synthesis Location: | enamine |
Shipped: | 2020-11-04 |
VLA-UCB-1dbca3b4-15
ALP-POS-d3acb8cc-4
1.000
EDJ-MED-e4b030d8-3
1.000
ALP-POS-d3acb8cc-2
1.000
MAT-POS-8a69d52e-3
1.000
ALP-POS-d3acb8cc-1
1.000
MAT-POS-8a69d52e-1
1.000
MAT-POS-8a69d52e-2
1.000
ALP-POS-d3acb8cc-3
1.000
MAK-UNK-8be7dca9-10
0.729
MAT-POS-f7918075-2
0.655
EDJ-MED-12c115cc-1
0.655
EDJ-MED-12c115cc-2
0.655
MAT-POS-bbbbc21a-2
0.655
MAT-POS-2e8b2191-2
0.629
ADA-UCB-dc2b944c-16
0.629
MAT-POS-b3e365b9-2
0.625
MAT-POS-b3e365b9-1
0.625
MAT-POS-f7918075-1
0.625
VLA-UCB-1dbca3b4-15
0.625
DAR-DIA-0d514e7d-34
0.621
DAR-DIA-0d514e7d-35
0.621
PET-UNK-c0891748-10
0.611
PET-UNK-c0891748-12
0.611
MAT-POS-2e8b2191-3
0.611
PET-UNK-c0891748-6
0.611
PET-UNK-c0891748-4
0.611
ALF-EVA-5b152d2f-1
0.604
DAR-DIA-0d514e7d-33
0.587
EDJ-MED-e4b030d8-11
0.559
MAT-POS-8a69d52e-4
0.559
MAT-POS-8a69d52e-5
0.559
BRU-THA-01b12488-1
0.559
MAT-POS-8a69d52e-6
0.559
MAT-POS-8a69d52e-7
0.559
ADA-UCB-dc2b944c-14
0.559
ADA-UCB-dc2b944c-13
0.559
ALF-EVA-5b152d2f-6
0.558
MAT-POS-dd3ad2b5-5
0.557
BEN-DND-f2e727cd-4
0.554
MAT-POS-66a736cf-1
0.554
MIC-UNK-91acba05-3
0.554
ALP-UNI-c3ef0aba-2
0.554
MAR-UCB-6ab2ec87-6
0.554
LUO-POS-868e8996-13
0.554
DAR-DIA-0d514e7d-36
0.554
LUO-POS-868e8996-14
0.554
BEN-BAS-c2bc0d80-1
0.549
PET-UNK-022eab87-1
0.549
MAR-UCB-6ab2ec87-7
0.548
MIC-UNK-91acba05-2
0.543
DAR-DIA-0d514e7d-3
0.543
ADA-UCB-dc2b944c-15
0.543
EDJ-MED-eb111c00-1
0.543
RAL-THA-4aa06b95-4
0.541
MAT-POS-dd3ad2b5-1
0.537
BEN-DND-f2e727cd-6
0.537
ALP-POS-d054b76b-1
0.537
MAR-UCB-6ab2ec87-1
0.533
VLA-UCB-1dbca3b4-16
0.532
BEN-BAS-5c03e89e-1
0.531
ALP-POS-a577c8a2-2
0.531
MAT-POS-4223bc15-18
0.531
BEN-BAS-c2bc0d80-2
0.527
RAL-THA-8416115c-2
0.526
EDG-MED-5d232de5-5
0.526
MIC-UNK-91acba05-6
0.526
DAR-DIA-0f2f46c9-12
0.526
EDG-MED-5d232de5-6
0.526
RAL-THA-6e4c80cf-1
0.526
MAT-POS-24589f88-3
0.526
MAT-POS-dd3ad2b5-4
0.526
MAT-POS-4223bc15-19
0.526
MAT-POS-24589f88-2
0.526
MAT-POS-dd3ad2b5-2
0.526
RAL-THA-8416115c-3
0.526
PET-UNK-9b23ef84-2
0.526
MAT-POS-3ccb8ef6-1
0.521
MAT-POS-d8472c4f-5
0.521
BEN-DND-f2e727cd-5
0.521
MAT-POS-3ccb8ef6-2
0.521
MIC-UNK-91acba05-4
0.521
RAL-THA-05e671eb-3
0.521
MAT-POS-78e1d523-1
0.521
ALP-POS-477dc5b7-1
0.521
MIC-UNK-45817b9b-2
0.521
PET-UNK-f860268d-5
0.520
PET-UNK-f860268d-2
0.520
MAT-POS-4223bc15-2
0.520
PET-UNK-d61f3ea6-2
0.520
RAL-THA-5e0a6f1a-1
0.520
ROB-UNI-322e8f70-3
0.516
MIC-UNK-91acba05-1
0.516
ALP-POS-477dc5b7-2
0.516
MIC-UNK-45817b9b-1
0.516
EDJ-MED-92e193ae-2
0.516
MAT-POS-43c25e9b-1
0.516
EDJ-MED-a6bd50ad-1
0.516
MAT-POS-43c25e9b-2
0.516
EDJ-MED-92e193ae-1
0.516
MIC-UNK-91acba05-5
0.516