Molecule Details
| Molecular Properties | |
| SMILES: | CN(C)C1(CNC(=O)CN2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CC1 |
| MW: | 517.22 |
| Fraction sp3: | 0.41 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 6 |
| TPSA: | 68.78 |
| cLogP: | 3.59 |
| 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
0.847
EDJ-MED-6b23330e-5
0.847
MAT-POS-e75f6e44-5
0.837
MAT-POS-e75f6e44-1
0.837
MAT-POS-e75f6e44-19
0.830
MAT-POS-e75f6e44-6
0.830
MAT-POS-e75f6e44-2
0.828
MAT-POS-e75f6e44-10
0.822
EDJ-MED-33064c06-16
0.822
MAT-POS-e75f6e44-17
0.820
ALP-POS-ecbed2ba-14
0.818
LUO-POS-868e8996-12
0.812
EDJ-MED-8bb691af-4
0.812
LUO-POS-868e8996-11
0.812
MAT-POS-c7726e07-5
0.812
MAT-POS-c7726e07-6
0.812
MAT-POS-e75f6e44-12
0.812
MAT-POS-e75f6e44-15
0.812
MAT-POS-e75f6e44-11
0.804
EDJ-MED-6b23330e-2
0.792
EDJ-MED-6b23330e-1
0.792
EDJ-MED-6b23330e-7
0.792
EDJ-MED-6b23330e-4
0.784
BRU-THA-ae0174a8-1
0.782
ALP-POS-ecbed2ba-12
0.782
MAT-POS-566864e2-2
0.782
MAT-POS-566864e2-1
0.782
EDJ-MED-6b23330e-6
0.777
LUO-POS-e1dab717-19
0.773
MAT-POS-69786b79-3
0.772
MAT-POS-e75f6e44-16
0.771
MAT-POS-e75f6e44-20
0.762
MAT-POS-e75f6e44-13
0.760
MAT-POS-e75f6e44-14
0.752
EDJ-MED-6b23330e-3
0.748
MIK-ENA-1494235a-1
0.748
MIK-ENA-4ed700b1-1
0.748
MAT-POS-69786b79-2
0.748
MIK-ENA-4a1c9a78-1
0.748
MAT-POS-e75f6e44-18
0.745
MAT-POS-e75f6e44-3
0.740
MAT-POS-e75f6e44-21
0.738
ALP-POS-c3a90b22-6
0.728
MAT-POS-69786b79-4
0.726
MAT-POS-e75f6e44-8
0.722
MAT-POS-e75f6e44-9
0.722
MIK-ENA-9eb8d9fb-1
0.700
EDJ-MED-33064c06-5
0.694
ALP-POS-133e7cd9-1
0.692
EDJ-MED-40e596c8-3
0.673
EDJ-MED-40e596c8-1
0.670
VLA-UNK-3bd6fc51-1
0.663
MAT-POS-ddfe83c6-6
0.660
MAT-POS-38eb6498-5
0.640
LUO-POS-b4dec3be-1
0.636
MIK-ENA-610c7cf9-1
0.636
LUO-POS-b4dec3be-2
0.636
MIK-ENA-4bb8c98f-1
0.636
MAT-POS-b4d6b7fc-5
0.636
EDJ-MED-4cb9dd84-3
0.631
VLA-UNK-5d8210f0-2
0.627
EDJ-MED-b6c6ee2b-2
0.625
EDJ-MED-40e596c8-2
0.625
MAT-POS-566864e2-4
0.624
MAT-POS-69786b79-1
0.624
LUO-POS-e1dab717-1
0.624
ALP-POS-ecbed2ba-7
0.624
MAT-POS-566864e2-3
0.624
MAT-POS-576f7758-1
0.624
ALP-POS-afe0272e-1
0.620
EDJ-MED-7587a9ee-3
0.619
ALP-POS-ecbed2ba-18
0.618
LUO-POS-ed2cfb03-2
0.617
PET-UNK-7e9559de-1
0.616
PET-UNK-7e9559de-4
0.616
MAT-POS-96396902-1
0.616
ALP-POS-c3a90b22-7
0.616
ALP-POS-c3a90b22-2
0.613
EDJ-MED-cc48ee33-3
0.613
MIK-ENA-f73d8b60-1
0.611
MAT-POS-38eb6498-3
0.608
EDJ-MED-b6c6ee2b-1
0.608
EDJ-MED-cc48ee33-4
0.607
MAT-POS-b4d6b7fc-7
0.603
MAT-POS-be048f2c-8
0.603
ALP-POS-ecbed2ba-19
0.602
MAT-POS-b4d6b7fc-6
0.598
MAT-POS-1d5ab790-2
0.598
EDJ-MED-cc48ee33-5
0.596
ALP-POS-c3a90b22-4
0.596
EDJ-MED-59d5ca70-2
0.595
MAT-POS-be048f2c-5
0.595
MAT-POS-be048f2c-7
0.595
LUO-POS-ed2cfb03-1
0.595
LUO-POS-e1dab717-17
0.595
ALP-POS-ecbed2ba-20
0.593
VLA-UNK-5d8210f0-1
0.589
ALP-POS-ecbed2ba-3
0.589
EDJ-MED-3707c4bc-2
0.589
EDJ-MED-3707c4bc-1
0.589