Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2[C@@]2(CCN(c3cncc4c3CCCC4)C2=O)C1 |
| MW: | 438.18 |
| Fraction sp3: | 0.46 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.54 |
| cLogP: | 2.85 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.235440420166198 |
| Order Status | |
| Shipped: | 2021-12-29 |
EDJ-MED-705e09b8-1
1.000
MIK-UNK-1619f2e2-1
1.000
EDJ-MED-d4864bdc-1
0.723
LUO-POS-868e8996-11
0.635
MAT-POS-c7726e07-5
0.635
LUO-POS-868e8996-12
0.635
EDJ-MED-8bb691af-4
0.635
MAT-POS-c7726e07-6
0.635
MAT-POS-ddfe83c6-6
0.623
PET-UNK-df7eb4e6-1
0.606
PET-UNK-df7eb4e6-5
0.606
MAT-POS-b4d6b7fc-6
0.606
MAT-POS-1d5ab790-2
0.606
EDJ-MED-705e09b8-2
0.604
MAT-POS-38eb6498-5
0.604
MIK-ENA-610c7cf9-1
0.600
MAT-POS-b4d6b7fc-5
0.600
EDJ-MED-d4864bdc-2
0.600
MIK-ENA-4bb8c98f-1
0.600
LUO-POS-b4dec3be-1
0.600
LUO-POS-b4dec3be-2
0.600
EDJ-MED-b6c6ee2b-2
0.589
MAT-POS-b4d6b7fc-7
0.583
PET-UNK-c6bcc80b-12
0.568
PET-UNK-c6bcc80b-5
0.568
ALP-POS-133e7cd9-1
0.564
MIK-ENA-4a1c9a78-1
0.544
MIK-ENA-1494235a-1
0.544
MIK-ENA-4ed700b1-1
0.544
MAT-POS-e75f6e44-19
0.543
EDJ-MED-6b23330e-1
0.539
MAT-POS-e75f6e44-4
0.539
EDJ-MED-6b23330e-5
0.539
MAT-POS-38eb6498-3
0.537
EDJ-MED-b6c6ee2b-1
0.537
MAT-POS-69786b79-3
0.535
ALP-POS-ecbed2ba-14
0.530
MAT-POS-e75f6e44-6
0.530
LUO-POS-e1dab717-19
0.527
MAT-POS-e75f6e44-2
0.526
EDJ-MED-6b23330e-2
0.526
EDJ-MED-6b23330e-7
0.526
PET-UNK-eeb64427-4
0.522
PET-UNK-eeb64427-1
0.522
MAT-POS-e75f6e44-17
0.521
MIK-ENA-f73d8b60-1
0.521
EDJ-MED-6b23330e-4
0.521
MAT-POS-e75f6e44-7
0.521
ALP-POS-ecbed2ba-12
0.517
MAT-POS-69786b79-2
0.517
MAT-POS-566864e2-1
0.517
MAT-POS-566864e2-2
0.517
MAT-POS-e75f6e44-5
0.517
MAT-POS-e75f6e44-1
0.517
BRU-THA-ae0174a8-1
0.517
MAT-POS-e75f6e44-13
0.517
EDJ-MED-6b23330e-6
0.517
MAT-POS-e75f6e44-15
0.517
MAT-POS-e75f6e44-9
0.517
MAT-POS-e75f6e44-8
0.517
MAT-POS-e75f6e44-3
0.513
MAT-POS-e75f6e44-10
0.513
EDJ-MED-33064c06-16
0.513
MAT-POS-69786b79-4
0.504
MAT-POS-e75f6e44-12
0.504
MAT-POS-e75f6e44-16
0.504
EDJ-MED-4cb9dd84-3
0.500
EDJ-MED-6b23330e-3
0.500
ALP-POS-c3a90b22-6
0.500
MAT-POS-e75f6e44-11
0.500
MAT-POS-e75f6e44-14
0.500
MAT-POS-e75f6e44-18
0.496
MAT-POS-e75f6e44-20
0.496
MAT-POS-e75f6e44-21
0.492
LUO-POS-e1dab717-17
0.491
PET-UNK-eeb64427-2
0.487
PET-UNK-eeb64427-5
0.487
LUO-POS-e1dab717-18
0.487
VLA-UNK-5d8210f0-2
0.483
MIK-ENA-9eb8d9fb-1
0.476
ALP-POS-afe0272e-1
0.474
JOH-MSK-1f2dff76-1
0.474
JOH-MSK-1f2dff76-2
0.474
MAT-POS-1bed62cf-3
0.474
ALP-POS-c3a90b22-2
0.471
EDJ-MED-40e596c8-1
0.466
MAT-POS-69786b79-1
0.466
MAT-POS-576f7758-1
0.466
LUO-POS-e1dab717-1
0.466
ALP-POS-ecbed2ba-7
0.466
MAT-POS-566864e2-3
0.466
MAT-POS-566864e2-4
0.466
VLA-UNK-5d8210f0-1
0.462
MIK-ENA-30ee93be-1
0.459
VLA-UNK-3bd6fc51-1
0.457
EDJ-MED-40e596c8-3
0.452
PET-UNK-df7eb4e6-2
0.450
PET-UNK-df7eb4e6-6
0.450
ALP-POS-c3a90b22-4
0.447
LUO-POS-e1dab717-3
0.442