Molecule Details
| Molecular Properties | |
| SMILES: | CC(C)(C)CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
| MW: | 490.21 |
| Fraction sp3: | 0.39 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 65.54 |
| cLogP: | 4.54 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-01-22 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-ecbed2ba-12
EDJ-MED-6b23330e-7
0.895
EDJ-MED-6b23330e-4
0.885
EDJ-MED-6b23330e-6
0.876
BRU-THA-ae0174a8-1
0.865
EDJ-MED-6b23330e-3
0.842
MAT-POS-e75f6e44-5
0.827
EDJ-MED-8bb691af-4
0.821
LUO-POS-868e8996-11
0.821
MAT-POS-c7726e07-5
0.821
LUO-POS-868e8996-12
0.821
MAT-POS-c7726e07-6
0.821
ALP-POS-ecbed2ba-14
0.808
EDJ-MED-6b23330e-1
0.800
MAT-POS-e75f6e44-4
0.800
EDJ-MED-6b23330e-5
0.800
MAT-POS-e75f6e44-10
0.794
EDJ-MED-33064c06-16
0.794
MAT-POS-e75f6e44-7
0.792
ALP-POS-ecbed2ba-12
0.790
MAT-POS-e75f6e44-1
0.790
MAT-POS-566864e2-2
0.790
MAT-POS-566864e2-1
0.790
MAT-POS-e75f6e44-19
0.784
MAT-POS-e75f6e44-6
0.784
MAT-POS-e75f6e44-2
0.782
LUO-POS-e1dab717-19
0.781
MAT-POS-69786b79-3
0.780
MAT-POS-e75f6e44-17
0.775
MAT-POS-e75f6e44-13
0.767
MAT-POS-e75f6e44-12
0.767
MAT-POS-e75f6e44-15
0.767
MAT-POS-e75f6e44-16
0.762
MAT-POS-e75f6e44-11
0.760
MAT-POS-e75f6e44-14
0.760
MIK-ENA-1494235a-1
0.755
MIK-ENA-4ed700b1-1
0.755
MAT-POS-69786b79-2
0.755
MIK-ENA-4a1c9a78-1
0.755
MAT-POS-e75f6e44-18
0.752
MAT-POS-e75f6e44-20
0.752
MAT-POS-e75f6e44-3
0.748
MAT-POS-e75f6e44-9
0.745
MAT-POS-e75f6e44-21
0.745
MAT-POS-e75f6e44-8
0.745
MAT-POS-69786b79-4
0.733
MIK-ENA-9eb8d9fb-1
0.706
ALP-POS-c3a90b22-6
0.702
ALP-POS-133e7cd9-1
0.699
VLA-UNK-3bd6fc51-1
0.686
EDJ-MED-40e596c8-1
0.676
MAT-POS-ddfe83c6-6
0.667
EDJ-MED-40e596c8-3
0.664
MAT-POS-38eb6498-5
0.661
LUO-POS-b4dec3be-2
0.657
MAT-POS-b4d6b7fc-5
0.657
LUO-POS-b4dec3be-1
0.657
MIK-ENA-610c7cf9-1
0.657
MIK-ENA-4bb8c98f-1
0.657
ALP-POS-afe0272e-1
0.642
EDJ-MED-7587a9ee-3
0.641
EDJ-MED-3707c4bc-2
0.639
LUO-POS-ed2cfb03-2
0.638
EDJ-MED-4cb9dd84-3
0.636
VLA-UNK-5d8210f0-2
0.633
EDJ-MED-b6c6ee2b-2
0.631
EDJ-MED-40e596c8-2
0.631
MAT-POS-566864e2-4
0.630
MAT-POS-69786b79-1
0.630
LUO-POS-e1dab717-1
0.630
ALP-POS-ecbed2ba-7
0.630
MAT-POS-576f7758-1
0.630
MAT-POS-566864e2-3
0.630
ALP-POS-ecbed2ba-18
0.624
MAT-POS-96396902-1
0.622
PET-UNK-7e9559de-1
0.622
PET-UNK-7e9559de-4
0.622
ALP-POS-c3a90b22-7
0.622
EDJ-MED-cc48ee33-3
0.618
ALP-POS-c3a90b22-2
0.618
MIK-ENA-f73d8b60-1
0.616
EDJ-MED-33064c06-1
0.616
EDJ-MED-33064c06-12
0.611
MAT-POS-b4d6b7fc-7
0.609
ALP-POS-c3a90b22-4
0.602
EDJ-MED-b6c6ee2b-1
0.600
MAT-POS-38eb6498-3
0.600
EDJ-MED-59d5ca70-2
0.600
EDJ-MED-cc48ee33-4
0.598
ALP-POS-ecbed2ba-20
0.598
ALP-POS-ecbed2ba-13
0.596
VLA-UNK-5d8210f0-1
0.595
EDJ-MED-3707c4bc-1
0.595
ALP-POS-ecbed2ba-3
0.595
ALP-POS-ecbed2ba-19
0.593
PET-UNK-eeb64427-1
0.589
PET-UNK-df7eb4e6-5
0.589
PET-UNK-df7eb4e6-1
0.589
MAT-POS-b4d6b7fc-6
0.589
PET-UNK-eeb64427-4
0.589
MAT-POS-1d5ab790-2
0.589