Molecule Details
| Molecular Properties | |
| SMILES: | CC1(CNC(=O)CN2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CCC1 |
| MW: | 502.21 |
| Fraction sp3: | 0.41 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 65.54 |
| cLogP: | 4.68 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-01-22 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-ecbed2ba-12
MAT-POS-e75f6e44-4
0.936
EDJ-MED-6b23330e-5
0.936
MAT-POS-e75f6e44-17
0.848
MAT-POS-e75f6e44-15
0.840
MAT-POS-e75f6e44-2
0.838
MAT-POS-e75f6e44-7
0.830
MAT-POS-e75f6e44-1
0.828
MAT-POS-e75f6e44-5
0.828
MAT-POS-e75f6e44-6
0.822
MAT-POS-e75f6e44-10
0.814
EDJ-MED-33064c06-16
0.814
ALP-POS-ecbed2ba-14
0.810
EDJ-MED-8bb691af-4
0.804
LUO-POS-868e8996-11
0.804
MAT-POS-c7726e07-5
0.804
LUO-POS-868e8996-12
0.804
MAT-POS-c7726e07-6
0.804
MAT-POS-e75f6e44-12
0.804
MAT-POS-e75f6e44-11
0.796
EDJ-MED-6b23330e-1
0.784
EDJ-MED-6b23330e-7
0.784
EDJ-MED-6b23330e-2
0.784
MAT-POS-69786b79-3
0.782
EDJ-MED-6b23330e-4
0.777
BRU-THA-ae0174a8-1
0.775
ALP-POS-ecbed2ba-12
0.775
MAT-POS-566864e2-2
0.775
MAT-POS-566864e2-1
0.775
EDJ-MED-6b23330e-6
0.769
MAT-POS-e75f6e44-13
0.769
LUO-POS-e1dab717-19
0.765
MAT-POS-69786b79-2
0.757
MAT-POS-e75f6e44-16
0.748
MAT-POS-e75f6e44-14
0.745
EDJ-MED-6b23330e-3
0.741
MIK-ENA-4a1c9a78-1
0.740
MIK-ENA-1494235a-1
0.740
MIK-ENA-4ed700b1-1
0.740
MAT-POS-e75f6e44-18
0.738
MAT-POS-e75f6e44-20
0.738
MAT-POS-e75f6e44-3
0.733
MAT-POS-e75f6e44-21
0.731
MAT-POS-69786b79-4
0.720
MAT-POS-e75f6e44-9
0.716
MAT-POS-e75f6e44-8
0.716
ALP-POS-133e7cd9-1
0.702
MIK-ENA-9eb8d9fb-1
0.694
ALP-POS-c3a90b22-6
0.689
EDJ-MED-40e596c8-3
0.682
EDJ-MED-40e596c8-1
0.664
VLA-UNK-3bd6fc51-1
0.657
MAT-POS-ddfe83c6-6
0.654
ALP-POS-c3a90b22-2
0.651
MAT-POS-38eb6498-5
0.634
MAT-POS-566864e2-4
0.633
MAT-POS-69786b79-1
0.633
LUO-POS-e1dab717-1
0.633
ALP-POS-ecbed2ba-7
0.633
MAT-POS-576f7758-1
0.633
MAT-POS-566864e2-3
0.633
LUO-POS-b4dec3be-2
0.631
MAT-POS-b4d6b7fc-5
0.631
LUO-POS-b4dec3be-1
0.631
MIK-ENA-610c7cf9-1
0.631
MIK-ENA-4bb8c98f-1
0.631
EDJ-MED-4cb9dd84-3
0.625
ALP-POS-c3a90b22-7
0.625
VLA-UNK-5d8210f0-2
0.622
EDJ-MED-b6c6ee2b-2
0.619
EDJ-MED-40e596c8-2
0.619
ALP-POS-afe0272e-1
0.615
EDJ-MED-7587a9ee-3
0.613
ALP-POS-ecbed2ba-3
0.613
LUO-POS-ed2cfb03-2
0.611
MAT-POS-96396902-1
0.611
PET-UNK-7e9559de-1
0.611
PET-UNK-7e9559de-4
0.611
EDJ-MED-cc48ee33-3
0.607
MIK-ENA-f73d8b60-1
0.605
EDJ-MED-59d5ca70-2
0.603
ALP-POS-ecbed2ba-20
0.602
MAT-POS-b4d6b7fc-7
0.598
VLA-UNK-5d8210f0-1
0.598
ALP-POS-ecbed2ba-18
0.598
PET-UNK-eeb64427-1
0.593
PET-UNK-eeb64427-4
0.593
EDJ-MED-3af0740c-1
0.591
ALP-POS-c3a90b22-4
0.591
EDJ-MED-b6c6ee2b-1
0.590
MAT-POS-38eb6498-3
0.590
ALP-POS-c3a90b22-10
0.590
EDJ-MED-cc48ee33-4
0.588
EDJ-MED-33064c06-14
0.586
ALP-POS-ecbed2ba-1
0.586
ALP-POS-ecbed2ba-8
0.586
MAT-POS-be048f2c-8
0.585
EDJ-MED-3707c4bc-1
0.584
EDJ-MED-3707c4bc-2
0.584
ALP-POS-ecbed2ba-19
0.583
ALP-POS-ecbed2ba-21
0.581