Molecule Details
| Molecular Properties | |
| SMILES: | N#CC1(CNC(=O)CN2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CC1 |
| MW: | 499.18 |
| Fraction sp3: | 0.36 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 89.33 |
| cLogP: | 3.8 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-01-22 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-ecbed2ba-12
ALP-POS-ecbed2ba-14
0.838
MAT-POS-e75f6e44-1
0.838
MAT-POS-e75f6e44-17
0.822
MAT-POS-e75f6e44-5
0.820
MAT-POS-e75f6e44-12
0.814
MAT-POS-e75f6e44-15
0.814
MAT-POS-e75f6e44-4
0.812
MAT-POS-e75f6e44-2
0.812
EDJ-MED-6b23330e-5
0.812
MAT-POS-e75f6e44-7
0.804
MAT-POS-e75f6e44-6
0.796
MAT-POS-e75f6e44-19
0.796
EDJ-MED-33064c06-16
0.788
MAT-POS-e75f6e44-10
0.788
MAT-POS-69786b79-4
0.779
EDJ-MED-8bb691af-4
0.778
LUO-POS-868e8996-11
0.778
MAT-POS-c7726e07-5
0.778
LUO-POS-868e8996-12
0.778
MAT-POS-c7726e07-6
0.778
ALP-POS-ecbed2ba-12
0.767
MAT-POS-566864e2-2
0.767
MAT-POS-566864e2-1
0.767
BRU-THA-ae0174a8-1
0.767
EDJ-MED-6b23330e-3
0.766
EDJ-MED-6b23330e-2
0.760
EDJ-MED-6b23330e-1
0.760
EDJ-MED-6b23330e-7
0.760
LUO-POS-e1dab717-19
0.758
EDJ-MED-6b23330e-4
0.752
EDJ-MED-6b23330e-6
0.745
MAT-POS-e75f6e44-13
0.745
MAT-POS-69786b79-3
0.740
MAT-POS-e75f6e44-14
0.738
MAT-POS-69786b79-2
0.733
MAT-POS-e75f6e44-18
0.731
MAT-POS-e75f6e44-20
0.731
MAT-POS-e75f6e44-3
0.726
MAT-POS-e75f6e44-16
0.725
MAT-POS-e75f6e44-21
0.725
MIK-ENA-4a1c9a78-1
0.717
MIK-ENA-1494235a-1
0.717
MIK-ENA-4ed700b1-1
0.717
ALP-POS-c3a90b22-7
0.710
EDJ-MED-33064c06-17
0.700
MAT-POS-e75f6e44-9
0.694
MAT-POS-e75f6e44-8
0.694
MIK-ENA-9eb8d9fb-1
0.688
ALP-POS-c3a90b22-6
0.667
ALP-POS-133e7cd9-1
0.664
VLA-UNK-3bd6fc51-1
0.651
MIK-ENA-5d9157e9-1
0.649
ALP-POS-ecbed2ba-4
0.649
MIK-ENA-5d9157e9-2
0.649
EDJ-MED-8bb691af-6
0.649
EDJ-MED-40e596c8-3
0.646
EDJ-MED-40e596c8-1
0.642
ALP-POS-ecbed2ba-8
0.637
MAT-POS-ddfe83c6-6
0.633
ALP-POS-ecbed2ba-15
0.626
EDJ-MED-3af0740c-7
0.624
EDJ-MED-accc2c4d-3
0.622
EDJ-MED-4cb9dd84-3
0.619
MAT-POS-38eb6498-5
0.614
EDJ-MED-40e596c8-2
0.614
EDJ-MED-3af0740c-8
0.613
LUO-POS-b4dec3be-1
0.611
MIK-ENA-610c7cf9-1
0.611
EDJ-MED-accc2c4d-1
0.611
MIK-ENA-4bb8c98f-1
0.611
LUO-POS-b4dec3be-2
0.611
MAT-POS-b4d6b7fc-5
0.611
EDJ-MED-accc2c4d-4
0.607
EDJ-MED-4138fde9-7
0.607
LUO-POS-ed2cfb03-2
0.606
PET-UNK-7e9559de-4
0.605
MAT-POS-96396902-1
0.605
PET-UNK-7e9559de-1
0.605
VLA-UNK-5d8210f0-2
0.602
EDJ-MED-b6c6ee2b-2
0.600
MAT-POS-69786b79-1
0.598
LUO-POS-e1dab717-1
0.598
ALP-POS-ecbed2ba-7
0.598
MAT-POS-576f7758-1
0.598
MAT-POS-566864e2-3
0.598
MAT-POS-566864e2-4
0.598
PET-UNK-94036022-2
0.596
PET-UNK-94036022-9
0.596
ALP-POS-afe0272e-1
0.595
EDJ-MED-7587a9ee-3
0.593
ALP-POS-ecbed2ba-11
0.592
ALP-POS-ecbed2ba-9
0.591
ALP-POS-c3a90b22-2
0.588
ALP-POS-ecbed2ba-2
0.587
ALP-POS-ecbed2ba-17
0.586
MIK-ENA-f73d8b60-1
0.586
ALP-POS-ecbed2ba-16
0.585
EDJ-MED-59d5ca70-2
0.585
EDJ-MED-cc48ee33-4
0.583
ALP-POS-ecbed2ba-20
0.582