Molecular Properties | |
SMILES: | N[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 353.09 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 77.24 |
cLogP: | 3.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 47.5305471595249 |
Order Status | |
Ordered: | 2020-11-23 |
Synthesis Location: | enamine |
Shipped: | 2021-02-11 |
EDG-MED-90036822-110
EDG-MED-90036822-108
EDG-MED-90036822-105
EDG-MED-90036822-104
EDG-MED-90036822-103
EDG-MED-90036822-102
EDG-MED-90036822-101
EDG-MED-90036822-100
EDG-MED-90036822-96
EDG-MED-90036822-95
EDG-MED-90036822-93
EDG-MED-90036822-92
EDG-MED-90036822-91
EDG-MED-90036822-89
EDG-MED-90036822-88
EDG-MED-90036822-82
EDG-MED-90036822-81
EDG-MED-90036822-78
EDG-MED-90036822-77
EDG-MED-90036822-76
EDG-MED-90036822-75
EDG-MED-90036822-71
EDG-MED-90036822-70
EDG-MED-90036822-69
EDG-MED-90036822-66
EDG-MED-90036822-65
EDG-MED-90036822-64
EDG-MED-90036822-63
EDG-MED-90036822-60
EDG-MED-90036822-57
EDG-MED-90036822-56
EDG-MED-90036822-55
EDG-MED-90036822-52
EDG-MED-90036822-51
EDG-MED-90036822-50
EDG-MED-90036822-48
EDG-MED-90036822-47
EDG-MED-90036822-46
EDG-MED-90036822-45
EDG-MED-90036822-42
EDG-MED-90036822-41
EDG-MED-90036822-40
EDG-MED-90036822-39
EDG-MED-90036822-38
EDG-MED-90036822-37
EDG-MED-90036822-34
EDG-MED-90036822-29
EDG-MED-90036822-27
EDG-MED-90036822-26
EDG-MED-90036822-22
EDG-MED-90036822-21
EDG-MED-90036822-20
EDG-MED-90036822-14
EDG-MED-90036822-11
EDG-MED-90036822-9
EDG-MED-90036822-8
EDG-MED-90036822-7
EDG-MED-90036822-6
EDG-MED-90036822-4
EDG-MED-90036822-3
EDG-MED-90036822-2
EDG-MED-90036822-1
EDG-MED-90036822-109
EDG-MED-90036822-99
EDG-MED-90036822-94
EDG-MED-90036822-90
EDG-MED-90036822-85
EDG-MED-90036822-83
EDG-MED-90036822-79
EDG-MED-90036822-74
EDG-MED-90036822-73
EDG-MED-90036822-72
EDG-MED-90036822-68
EDG-MED-90036822-62
EDG-MED-90036822-59
EDG-MED-90036822-53
EDG-MED-90036822-49
EDG-MED-90036822-43
EDG-MED-90036822-36
EDG-MED-90036822-32
EDG-MED-90036822-30
EDG-MED-90036822-28
EDG-MED-90036822-24
EDG-MED-90036822-19
EDG-MED-90036822-17
EDG-MED-90036822-16
EDG-MED-90036822-13
EDG-MED-90036822-12
EDG-MED-90036822-98
EDG-MED-90036822-87
EDG-MED-90036822-61
EDG-MED-90036822-58
EDG-MED-90036822-44
EDG-MED-90036822-35
EDG-MED-90036822-33
EDG-MED-90036822-31
EDG-MED-90036822-23
EDG-MED-90036822-18
EDG-MED-90036822-106
EDG-MED-90036822-84
EDG-MED-90036822-67
EDG-MED-90036822-15
EDG-MED-90036822-86
EDG-MED-90036822-80
EDG-MED-90036822-25
EDG-MED-90036822-10
EDG-MED-90036822-107
EDG-MED-90036822-97
EDG-MED-90036822-54
EDG-MED-90036822-5
MAT-POS-3b97339c-2
1.000
MAT-POS-2905de8c-1
1.000
EDG-MED-90036822-86
0.690
MAT-POS-2905de8c-2
0.678
EDJ-MED-e4b030d8-13
0.674
BEN-DND-a7517465-4
0.674
DAR-DIA-6a508060-10
0.674
MAT-POS-8e4737f4-1
0.674
EDG-MED-971238d3-1
0.674
MAT-POS-2905de8c-3
0.674
MAT-POS-9db1e783-1
0.674
PET-UNK-407a74a5-5
0.659
EDG-MED-971238d3-11
0.659
MAT-POS-45b13633-1
0.656
MAT-POS-e6dd326d-1
0.656
MAT-POS-2bb0cf2b-1
0.656
EDG-MED-971238d3-5
0.656
EDG-MED-90036822-2
0.652
EDJ-MED-d08626de-1
0.644
EDJ-MED-d08626de-2
0.644
EDG-MED-0e5afe9d-3
0.644
PET-UNK-29afea89-2
0.644
MAT-POS-9db1e783-2
0.644
EDG-MED-971238d3-2
0.644
EDG-MED-971238d3-6
0.641
EDG-MED-90036822-13
0.641
MIC-UNK-6e9f8a43-2
0.637
PET-UNK-29afea89-1
0.637
DAR-DIA-ecdbc7dd-13
0.634
EDG-MED-90036822-11
0.632
EDG-MED-90036822-10
0.632
MAT-POS-45b13633-2
0.630
MAT-POS-e6dd326d-2
0.630
EDG-MED-90036822-29
0.628
EDG-MED-90036822-63
0.628
EDG-MED-90036822-100
0.628
EDG-MED-90036822-28
0.628
EDJ-MED-6d9ff7d0-9
0.625
EDG-MED-971238d3-9
0.624
PET-UNK-bcc8fd08-1
0.624
MAT-POS-45b13633-4
0.624
RAL-THA-58fba2bc-3
0.624
EDG-MED-971238d3-10
0.624
DAR-DIA-e7614d05-1
0.624
EDG-MED-971238d3-3
0.624
JAG-UCB-706446eb-3
0.624
DAR-DIA-e7614d05-2
0.624
ALP-POS-93b3621f-1
0.624
DAR-DIA-e7614d05-3
0.624
RAL-THA-58fba2bc-1
0.624
EDG-MED-4c68219f-6
0.621
EDG-MED-4c68219f-10
0.621
RAL-THA-e002e396-6
0.621
EDG-MED-971238d3-7
0.621
DAR-DIA-ecdbc7dd-4
0.621
EDG-MED-90036822-24
0.621
EDG-MED-90036822-3
0.619
EDG-MED-90036822-4
0.619
EDG-MED-90036822-5
0.619
PET-UNK-824b5c6a-1
0.617
MAT-POS-e6dd326d-3
0.617
MAT-POS-45b13633-3
0.617
PET-UNK-10c83c8b-1
0.617
PET-UNK-824b5c6a-3
0.611
RAL-THA-e002e396-2
0.611
RAL-THA-e002e396-11
0.611
RAL-THA-e002e396-1
0.611
EDG-MED-90036822-9
0.608
EDG-MED-90036822-21
0.608
EDG-MED-90036822-34
0.608
DAR-DIA-ecdbc7dd-3
0.608
JAG-UCB-706446eb-4
0.606
MAT-POS-f9802937-5
0.604
RAL-THA-58fba2bc-4
0.604
MAT-POS-e6dd326d-4
0.604
EDG-MED-971238d3-8
0.604
MAT-POS-5d65ec79-2
0.604
EDJ-MED-f893e2a1-8
0.604
RAL-THA-58fba2bc-2
0.604
MAT-POS-e6dd326d-9
0.604
MIC-UNK-ddc6ad53-1
0.604
ED_-GRI-5b13fbe2-72
0.604
EDG-MED-4c68219f-12
0.604
MAT-POS-f9802937-6
0.604
EDG-MED-90036822-47
0.602
EDG-MED-90036822-48
0.602
EDG-MED-90036822-56
0.602
ED_-GRI-5b13fbe2-41
0.602
EDG-MED-90036822-44
0.602
ED_-GRI-5b13fbe2-68
0.602
EDG-MED-90036822-16
0.602
EDG-MED-90036822-17
0.602
EDG-MED-90036822-62
0.602
MAT-POS-e6dd326d-6
0.602
ED_-GRI-5b13fbe2-40
0.602
EDG-MED-90036822-15
0.602
EDG-MED-90036822-66
0.600
EDJ-MED-e4b030d8-1
0.600
VLA-UCB-1dbca3b4-14
0.600
MAT-POS-f9802937-4
0.598