Molecule Details
| Molecular Properties | |
| SMILES: | CC1(CNC(=O)CN2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CC1 |
| MW: | 488.2 |
| Fraction sp3: | 0.39 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 65.54 |
| cLogP: | 4.29 |
| 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
1.000
MAT-POS-e75f6e44-19
0.936
MAT-POS-e75f6e44-2
0.856
MAT-POS-e75f6e44-7
0.847
MAT-POS-e75f6e44-5
0.845
MAT-POS-e75f6e44-1
0.845
MAT-POS-e75f6e44-6
0.838
MAT-POS-e75f6e44-10
0.830
EDJ-MED-33064c06-16
0.830
MAT-POS-e75f6e44-17
0.828
ALP-POS-ecbed2ba-14
0.827
EDJ-MED-8bb691af-4
0.821
LUO-POS-868e8996-11
0.821
MAT-POS-c7726e07-5
0.821
MAT-POS-c7726e07-6
0.821
LUO-POS-868e8996-12
0.821
MAT-POS-e75f6e44-12
0.820
MAT-POS-e75f6e44-15
0.820
EDJ-MED-6b23330e-1
0.818
MAT-POS-e75f6e44-11
0.812
EDJ-MED-6b23330e-2
0.800
EDJ-MED-6b23330e-7
0.800
MAT-POS-69786b79-3
0.798
EDJ-MED-6b23330e-4
0.792
MAT-POS-566864e2-2
0.790
BRU-THA-ae0174a8-1
0.790
ALP-POS-ecbed2ba-12
0.790
MAT-POS-566864e2-1
0.790
EDJ-MED-6b23330e-6
0.784
LUO-POS-e1dab717-19
0.781
MAT-POS-e75f6e44-14
0.777
MAT-POS-69786b79-2
0.772
MAT-POS-e75f6e44-13
0.767
MAT-POS-e75f6e44-16
0.762
MIK-ENA-1494235a-1
0.755
MIK-ENA-4ed700b1-1
0.755
MIK-ENA-4a1c9a78-1
0.755
EDJ-MED-6b23330e-3
0.755
MAT-POS-e75f6e44-18
0.752
MAT-POS-e75f6e44-20
0.752
MAT-POS-e75f6e44-3
0.748
MAT-POS-e75f6e44-21
0.745
MAT-POS-69786b79-4
0.733
MAT-POS-e75f6e44-9
0.729
MAT-POS-e75f6e44-8
0.729
MIK-ENA-9eb8d9fb-1
0.706
ALP-POS-c3a90b22-6
0.702
ALP-POS-133e7cd9-1
0.699
EDJ-MED-40e596c8-3
0.679
EDJ-MED-40e596c8-1
0.676
VLA-UNK-3bd6fc51-1
0.670
MAT-POS-ddfe83c6-6
0.667
MAT-POS-38eb6498-5
0.645
ALP-POS-ecbed2ba-7
0.645
MAT-POS-576f7758-1
0.645
MAT-POS-566864e2-4
0.645
LUO-POS-e1dab717-1
0.645
MAT-POS-69786b79-1
0.645
MAT-POS-566864e2-3
0.645
LUO-POS-b4dec3be-1
0.642
MAT-POS-b4d6b7fc-5
0.642
MIK-ENA-4bb8c98f-1
0.642
LUO-POS-b4dec3be-2
0.642
MIK-ENA-610c7cf9-1
0.642
EDJ-MED-7587a9ee-3
0.641
ALP-POS-ecbed2ba-3
0.639
EDJ-MED-4cb9dd84-3
0.636
ALP-POS-c3a90b22-7
0.636
VLA-UNK-5d8210f0-2
0.633
ALP-POS-c3a90b22-2
0.633
EDJ-MED-b6c6ee2b-2
0.631
EDJ-MED-40e596c8-2
0.631
ALP-POS-afe0272e-1
0.626
MAT-POS-b4d6b7fc-7
0.623
LUO-POS-ed2cfb03-2
0.623
PET-UNK-7e9559de-1
0.622
PET-UNK-7e9559de-4
0.622
MAT-POS-96396902-1
0.622
EDJ-MED-cc48ee33-3
0.618
MIK-ENA-f73d8b60-1
0.616
ALP-POS-c3a90b22-4
0.616
ALP-POS-c3a90b22-10
0.614
EDJ-MED-59d5ca70-2
0.614
ALP-POS-ecbed2ba-18
0.609
MAT-POS-be048f2c-8
0.609
PET-UNK-eeb64427-4
0.604
PET-UNK-eeb64427-1
0.604
EDJ-MED-3af0740c-1
0.602
EDJ-MED-b6c6ee2b-1
0.600
MAT-POS-38eb6498-3
0.600
EDJ-MED-cc48ee33-4
0.598
ALP-POS-ecbed2ba-20
0.598
ALP-POS-ecbed2ba-1
0.596
VLA-UNK-5d8210f0-1
0.595
EDJ-MED-3707c4bc-1
0.595
EDJ-MED-3707c4bc-2
0.595
ALP-POS-ecbed2ba-19
0.593
PET-UNK-df7eb4e6-5
0.589
MAT-POS-b4d6b7fc-6
0.589
MAT-POS-1d5ab790-2
0.589