Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4cc(NS(C)(=O)=O)ccc34)C2=O)C1 |
| MW: | 527.14 |
| Fraction sp3: | 0.32 |
| HBA: | 6 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 111.71 |
| cLogP: | 2.5 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-10-05 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Hetero_hetero
![CNC(=O)CN1Cc2ccc(Cl)cc2[C@@]2(CCN(c3cncc4cc(NS(C)(=O)=O)c(F)cc34)C2=O)C1](/static/images/loading.7a8cbb7079d7.gif)
PET-UNK-c6bcc80b-5
0.739
PET-UNK-c6bcc80b-12
0.739
EDJ-MED-8bb691af-4
0.728
MAT-POS-c7726e07-5
0.728
LUO-POS-868e8996-11
0.728
LUO-POS-868e8996-12
0.728
MAT-POS-c7726e07-6
0.728
MAT-POS-ddfe83c6-6
0.682
LUO-POS-b4dec3be-2
0.673
MIK-ENA-610c7cf9-1
0.673
MAT-POS-b4d6b7fc-5
0.673
LUO-POS-b4dec3be-1
0.673
MIK-ENA-4bb8c98f-1
0.673
EDJ-MED-b6c6ee2b-2
0.661
MAT-POS-38eb6498-5
0.646
LUO-POS-e1dab717-19
0.630
MIK-ENA-1494235a-1
0.628
MIK-ENA-4ed700b1-1
0.628
MIK-ENA-4a1c9a78-1
0.628
MAT-POS-e75f6e44-4
0.623
EDJ-MED-6b23330e-5
0.623
MAT-POS-e75f6e44-2
0.623
ALP-POS-133e7cd9-1
0.622
MAT-POS-69786b79-3
0.619
PET-UNK-df7eb4e6-1
0.619
PET-UNK-df7eb4e6-5
0.619
EDJ-MED-b6c6ee2b-1
0.615
MAT-POS-38eb6498-3
0.615
BRU-THA-ae0174a8-1
0.614
ALP-POS-ecbed2ba-14
0.614
MAT-POS-e75f6e44-6
0.612
EDJ-MED-6b23330e-6
0.612
MAT-POS-e75f6e44-15
0.612
EDJ-MED-6b23330e-1
0.609
EDJ-MED-6b23330e-2
0.609
EDJ-MED-6b23330e-7
0.609
MAT-POS-b4d6b7fc-6
0.605
MAT-POS-1d5ab790-2
0.605
EDJ-MED-6b23330e-4
0.603
MAT-POS-e75f6e44-7
0.603
EDJ-MED-40e596c8-1
0.602
MAT-POS-e75f6e44-1
0.600
ALP-POS-ecbed2ba-12
0.600
MAT-POS-69786b79-2
0.600
MAT-POS-566864e2-1
0.600
MAT-POS-566864e2-2
0.600
MAT-POS-e75f6e44-5
0.600
MAT-POS-e75f6e44-19
0.598
MAT-POS-e75f6e44-21
0.597
MAT-POS-e75f6e44-3
0.595
EDJ-MED-33064c06-16
0.593
MAT-POS-e75f6e44-10
0.593
MAT-POS-e75f6e44-14
0.593
MAT-POS-e75f6e44-17
0.590
MAT-POS-e75f6e44-18
0.588
MAT-POS-e75f6e44-12
0.585
MAT-POS-69786b79-4
0.585
MAT-POS-e75f6e44-13
0.585
MAT-POS-e75f6e44-16
0.583
MAT-POS-e75f6e44-8
0.583
MAT-POS-e75f6e44-9
0.583
MIK-UNK-1619f2e2-1
0.583
EDJ-MED-705e09b8-1
0.583
MIK-UNK-122557fa-1
0.583
ALP-POS-c3a90b22-6
0.583
MAT-POS-e75f6e44-11
0.580
EDJ-MED-6b23330e-3
0.579
VLA-UNK-5d8210f0-2
0.578
MIK-ENA-f73d8b60-1
0.576
LUO-POS-e1dab717-9
0.575
MAT-POS-e75f6e44-20
0.575
EDJ-MED-ede5c6cb-1
0.565
EDJ-MED-94fddcec-7
0.565
EDJ-MED-9f4ac58c-3
0.560
EDJ-MED-9f4ac58c-7
0.560
ALP-POS-afe0272e-1
0.557
EDJ-MED-4cb9dd84-3
0.555
MIK-ENA-9eb8d9fb-1
0.553
VLA-UNK-5d8210f0-1
0.542
VLA-UNK-3bd6fc51-1
0.539
PET-UNK-eeb64427-4
0.538
PET-UNK-eeb64427-1
0.538
EDJ-MED-40e596c8-2
0.537
EDG-MED-b1ef7fe3-4
0.534
MAT-POS-576f7758-1
0.534
MAT-POS-69786b79-1
0.534
LUO-POS-e1dab717-1
0.534
ALP-POS-ecbed2ba-7
0.534
MAT-POS-566864e2-3
0.534
MAT-POS-566864e2-4
0.534
MIK-ENA-30ee93be-1
0.530
EDJ-MED-7d88f880-1
0.528
EDJ-MED-40e596c8-3
0.528
EDJ-MED-7587a9ee-3
0.526
LUO-POS-ed2cfb03-2
0.526
ALP-POS-c3a90b22-2
0.525
LUO-POS-e1dab717-17
0.521
ALP-POS-c3a90b22-7
0.516
MAT-POS-853c0ffa-22
0.516
ALP-POS-c3a90b22-4
0.512