Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccc(F)cc34)C2=O)C1 |
| MW: | 452.14 |
| Fraction sp3: | 0.29 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.54 |
| cLogP: | 3.26 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.266540490879936 |
| Order Status | |
| Ordered: | 2021-10-05 |
| Synthesis Location: | enamine |
| Shipped: | 2021-11-10 |
![CNC(=O)CN1Cc2ccc(Cl)cc2[C@]2(CCN(c3cncc4ccc(F)cc34)C2=O)C1](/static/images/loading.7a8cbb7079d7.gif)
LUO-POS-b4dec3be-1
1.000
MIK-ENA-4bb8c98f-1
1.000
MIK-ENA-610c7cf9-1
1.000
LUO-POS-b4dec3be-2
1.000
MAT-POS-ddfe83c6-6
0.832
MAT-POS-38eb6498-5
0.782
EDJ-MED-b6c6ee2b-2
0.782
MAT-POS-c7726e07-6
0.773
EDJ-MED-8bb691af-4
0.773
LUO-POS-868e8996-11
0.773
MAT-POS-c7726e07-5
0.773
LUO-POS-868e8996-12
0.773
MAT-POS-38eb6498-3
0.705
EDJ-MED-b6c6ee2b-1
0.705
PET-UNK-c6bcc80b-5
0.700
PET-UNK-c6bcc80b-12
0.700
MIK-ENA-f73d8b60-1
0.698
EDJ-MED-4cb9dd84-3
0.673
MAT-POS-b4d6b7fc-7
0.673
EDJ-MED-6b23330e-4
0.667
MIK-ENA-1494235a-1
0.664
MIK-ENA-4ed700b1-1
0.664
BRU-THA-ae0174a8-1
0.664
MIK-ENA-4a1c9a78-1
0.664
EDJ-MED-6b23330e-6
0.661
EDJ-MED-6b23330e-7
0.657
EDJ-MED-6b23330e-2
0.657
ALP-POS-133e7cd9-1
0.657
MAT-POS-1d5ab790-2
0.654
PET-UNK-df7eb4e6-5
0.654
EDG-MED-b1ef7fe3-2
0.654
EDJ-MED-b6c6ee2b-6
0.654
MAT-POS-b4d6b7fc-6
0.654
MAT-POS-69786b79-3
0.654
PET-UNK-df7eb4e6-1
0.654
LUO-POS-e1dab717-19
0.650
ALP-POS-ecbed2ba-14
0.648
MAT-POS-e75f6e44-5
0.648
MAT-POS-e75f6e44-6
0.645
EDJ-MED-6b23330e-1
0.642
MAT-POS-e75f6e44-4
0.642
EDJ-MED-6b23330e-5
0.642
MAT-POS-e75f6e44-2
0.642
MAT-POS-e75f6e44-7
0.636
MAT-POS-566864e2-1
0.633
ALP-POS-ecbed2ba-12
0.633
MAT-POS-69786b79-2
0.633
MAT-POS-566864e2-2
0.633
MAT-POS-e75f6e44-1
0.633
MAT-POS-853c0ffa-21
0.631
MAT-POS-e75f6e44-15
0.631
MAT-POS-e75f6e44-19
0.631
MAT-POS-e75f6e44-16
0.628
MAT-POS-e75f6e44-3
0.627
MAT-POS-e75f6e44-10
0.625
EDJ-MED-33064c06-16
0.625
VLA-UNK-5d8210f0-2
0.624
EDJ-MED-6b23330e-3
0.623
MAT-POS-e75f6e44-17
0.622
MAT-POS-e75f6e44-18
0.619
MAT-POS-e75f6e44-12
0.616
MAT-POS-69786b79-4
0.616
MAT-POS-e75f6e44-13
0.616
ALP-POS-c3a90b22-6
0.615
MAT-POS-e75f6e44-9
0.614
MAT-POS-853c0ffa-14
0.614
MAT-POS-e75f6e44-8
0.614
MAT-POS-e75f6e44-21
0.614
MAT-POS-e75f6e44-11
0.611
MAT-POS-e75f6e44-14
0.611
MIK-ENA-30ee93be-1
0.607
MAT-POS-853c0ffa-13
0.605
MAT-POS-e75f6e44-20
0.605
MIK-UNK-122557fa-1
0.600
EDJ-MED-705e09b8-1
0.600
MIK-UNK-1619f2e2-1
0.600
MIK-ENA-26b331e0-1
0.598
PET-UNK-eeb64427-1
0.595
PET-UNK-eeb64427-4
0.595
EDJ-MED-40e596c8-1
0.591
LUO-POS-e1dab717-3
0.591
EDJ-MED-b6c6ee2b-7
0.588
ALP-POS-afe0272e-1
0.587
VLA-UNK-5d8210f0-1
0.586
MIK-ENA-9eb8d9fb-1
0.581
LUO-POS-e1dab717-17
0.577
LUO-POS-e1dab717-5
0.569
VLA-UNK-3bd6fc51-1
0.569
ALP-POS-ecbed2ba-7
0.562
MAT-POS-69786b79-1
0.562
MAT-POS-566864e2-3
0.562
MAT-POS-576f7758-1
0.562
LUO-POS-e1dab717-1
0.562
MAT-POS-566864e2-4
0.562
LUO-POS-e1dab717-18
0.559
ALP-POS-c3a90b22-2
0.553
VLA-UNK-5d8210f0-3
0.549
MAT-POS-1bed62cf-3
0.545
JOH-MSK-1f2dff76-1
0.545
JOH-MSK-1f2dff76-2
0.545