Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccc(Cl)cc34)C2=O)C1 |
| MW: | 468.11 |
| Fraction sp3: | 0.29 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.54 |
| cLogP: | 3.78 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-01-11 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
MIK-ENA-f73d8b60-1
0.833
MIK-ENA-4bb8c98f-1
0.832
LUO-POS-b4dec3be-1
0.832
MIK-ENA-610c7cf9-1
0.832
LUO-POS-b4dec3be-2
0.832
MAT-POS-b4d6b7fc-5
0.832
MAT-POS-38eb6498-5
0.814
EDJ-MED-b6c6ee2b-2
0.814
LUO-POS-868e8996-11
0.806
MAT-POS-c7726e07-5
0.806
LUO-POS-868e8996-12
0.806
MAT-POS-c7726e07-6
0.806
EDJ-MED-8bb691af-4
0.806
EDJ-MED-4cb9dd84-3
0.804
MAT-POS-38eb6498-3
0.748
EDJ-MED-b6c6ee2b-1
0.748
LUO-POS-e1dab717-3
0.710
PET-UNK-c6bcc80b-12
0.694
PET-UNK-c6bcc80b-5
0.694
MIK-ENA-1494235a-1
0.689
MIK-ENA-4ed700b1-1
0.689
MIK-ENA-4a1c9a78-1
0.689
ALP-POS-133e7cd9-1
0.683
EDJ-MED-6b23330e-1
0.683
MAT-POS-b4d6b7fc-7
0.682
MAT-POS-b4d6b7fc-6
0.680
MAT-POS-1d5ab790-2
0.680
MAT-POS-69786b79-3
0.680
PET-UNK-df7eb4e6-1
0.680
PET-UNK-df7eb4e6-5
0.680
LUO-POS-e1dab717-19
0.677
ALP-POS-ecbed2ba-14
0.673
MAT-POS-e75f6e44-6
0.670
EDJ-MED-6b23330e-5
0.667
MAT-POS-e75f6e44-4
0.667
EDJ-MED-6b23330e-2
0.667
EDJ-MED-6b23330e-7
0.667
EDJ-MED-6b23330e-4
0.660
MAT-POS-e75f6e44-7
0.660
BRU-THA-ae0174a8-1
0.657
MAT-POS-566864e2-2
0.657
MAT-POS-566864e2-1
0.657
MAT-POS-e75f6e44-5
0.657
MAT-POS-69786b79-2
0.657
ALP-POS-ecbed2ba-12
0.657
MAT-POS-e75f6e44-1
0.657
MAT-POS-69786b79-4
0.654
EDJ-MED-6b23330e-6
0.654
MAT-POS-e75f6e44-19
0.654
MAT-POS-e75f6e44-2
0.651
MAT-POS-e75f6e44-3
0.651
EDJ-MED-33064c06-16
0.648
MAT-POS-e75f6e44-10
0.648
LUO-POS-8c3e556a-1
0.647
EDG-MED-b1ef7fe3-1
0.647
LUO-POS-8c3e556a-2
0.647
MAT-POS-e75f6e44-17
0.645
MAT-POS-e75f6e44-20
0.642
MIK-ENA-30ee93be-1
0.641
MAT-POS-e75f6e44-12
0.639
MAT-POS-e75f6e44-15
0.639
MAT-POS-e75f6e44-13
0.639
ALP-POS-c3a90b22-6
0.638
MAT-POS-e75f6e44-8
0.636
MAT-POS-e75f6e44-16
0.636
MAT-POS-e75f6e44-9
0.636
MAT-POS-e75f6e44-11
0.633
MAT-POS-e75f6e44-14
0.633
PET-UNK-eeb64427-4
0.632
PET-UNK-eeb64427-1
0.632
EDJ-MED-6b23330e-3
0.631
MAT-POS-e75f6e44-18
0.627
MIK-UNK-1619f2e2-1
0.623
MIK-UNK-122557fa-1
0.623
EDJ-MED-705e09b8-1
0.623
MAT-POS-e75f6e44-21
0.622
VLA-UNK-5d8210f0-2
0.617
ALP-POS-afe0272e-1
0.610
MIK-ENA-26b331e0-1
0.605
MIK-ENA-9eb8d9fb-1
0.602
EDJ-MED-40e596c8-1
0.598
EDJ-MED-b6c6ee2b-4
0.596
LUO-POS-e1dab717-5
0.589
MAT-POS-576f7758-1
0.583
MAT-POS-566864e2-3
0.583
MAT-POS-69786b79-1
0.583
LUO-POS-e1dab717-1
0.583
MAT-POS-566864e2-4
0.583
LUO-POS-e1dab717-17
0.583
ALP-POS-ecbed2ba-7
0.583
JOH-MSK-1f2dff76-1
0.579
MAT-POS-1bed62cf-3
0.579
JOH-MSK-1f2dff76-2
0.579
VLA-UNK-5d8210f0-1
0.578
VLA-UNK-3bd6fc51-1
0.575
ALP-POS-c3a90b22-2
0.573
LUO-POS-e1dab717-4
0.573
LUO-POS-e1dab717-18
0.565
PET-UNK-eeb64427-2
0.564
PET-UNK-eeb64427-5
0.564