Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1Cc2cc(Cl)c(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
| MW: | 468.11 |
| Fraction sp3: | 0.29 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.54 |
| cLogP: | 3.78 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-11-29 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
VLA-UNK-5d8210f0-2
0.811
MAT-POS-c7726e07-5
0.758
LUO-POS-868e8996-12
0.758
MAT-POS-c7726e07-6
0.758
EDJ-MED-8bb691af-4
0.758
LUO-POS-868e8996-11
0.758
VLA-UNK-5d8210f0-1
0.660
MIK-ENA-4a1c9a78-1
0.648
MIK-ENA-1494235a-1
0.648
MIK-ENA-4ed700b1-1
0.648
MAT-POS-e75f6e44-6
0.645
EDJ-MED-6b23330e-2
0.642
EDJ-MED-6b23330e-7
0.642
MAT-POS-e75f6e44-3
0.642
ALP-POS-133e7cd9-1
0.641
MAT-POS-69786b79-3
0.638
ALP-POS-afe0272e-2
0.637
EDJ-MED-6b23330e-4
0.636
VLA-UNK-5d8210f0-3
0.635
LUO-POS-e1dab717-19
0.634
ALP-POS-ecbed2ba-14
0.632
EDJ-MED-6b23330e-6
0.630
EDJ-MED-6b23330e-1
0.626
EDJ-MED-6b23330e-5
0.626
MAT-POS-e75f6e44-4
0.626
MAT-POS-e75f6e44-7
0.620
MAT-POS-69786b79-2
0.617
ALP-POS-ecbed2ba-12
0.617
MAT-POS-e75f6e44-1
0.617
BRU-THA-ae0174a8-1
0.617
MAT-POS-566864e2-2
0.617
MAT-POS-566864e2-1
0.617
MAT-POS-e75f6e44-5
0.617
MAT-POS-e75f6e44-19
0.615
MAT-POS-e75f6e44-12
0.615
ALP-POS-c3a90b22-6
0.613
MAT-POS-e75f6e44-2
0.611
MAT-POS-ddfe83c6-6
0.610
EDJ-MED-33064c06-16
0.609
MAT-POS-e75f6e44-10
0.609
EDJ-MED-6b23330e-3
0.607
MAT-POS-e75f6e44-17
0.606
MAT-POS-69786b79-4
0.600
MAT-POS-e75f6e44-13
0.600
MAT-POS-e75f6e44-15
0.600
MAT-POS-e75f6e44-9
0.598
MAT-POS-e75f6e44-8
0.598
MAT-POS-e75f6e44-16
0.598
MAT-POS-e75f6e44-14
0.595
MAT-POS-e75f6e44-11
0.595
MAT-POS-38eb6498-5
0.591
MAT-POS-e75f6e44-18
0.589
MAT-POS-e75f6e44-20
0.589
LUO-POS-b4dec3be-1
0.587
MIK-ENA-610c7cf9-1
0.587
LUO-POS-b4dec3be-2
0.587
MAT-POS-b4d6b7fc-5
0.587
MIK-ENA-4bb8c98f-1
0.587
MAT-POS-e75f6e44-21
0.584
VLA-UNK-8e615992-1
0.583
VLA-UNK-61877630-4
0.583
VLA-UNK-61877630-5
0.578
VLA-UNK-8e615992-2
0.578
ALP-POS-c3a90b22-2
0.578
EDJ-MED-b6c6ee2b-2
0.577
EDJ-MED-8bb691af-8
0.575
PET-UNK-14142a25-10
0.575
PET-UNK-14142a25-1
0.575
MIK-ENA-37e0b697-1
0.575
LUO-POS-9931618f-1
0.575
MIK-ENA-794411b8-1
0.575
LUO-POS-9931618f-2
0.575
MAT-POS-69786b79-1
0.574
LUO-POS-e1dab717-1
0.574
MAT-POS-566864e2-4
0.574
ALP-POS-ecbed2ba-7
0.574
EDJ-MED-40e596c8-1
0.574
MAT-POS-576f7758-1
0.574
MAT-POS-566864e2-3
0.574
VLA-UNK-f2612802-2
0.573
MIK-ENA-9eb8d9fb-1
0.565
VLA-UNK-8e615992-3
0.565
ALP-POS-4483ae88-2
0.564
EDJ-MED-b6c6ee2b-1
0.563
MAT-POS-38eb6498-3
0.563
MAT-POS-b4d6b7fc-7
0.557
VLA-UNK-3bd6fc51-1
0.551
MAT-POS-1d5ab790-2
0.550
MAT-POS-b4d6b7fc-6
0.550
ALP-POS-c3a90b22-4
0.549
EDJ-MED-40e596c8-3
0.539
LUO-POS-ed2cfb03-2
0.537
PET-UNK-eeb64427-1
0.536
PET-UNK-df7eb4e6-1
0.536
PET-UNK-df7eb4e6-5
0.536
PET-UNK-eeb64427-4
0.536
ALP-POS-c3a90b22-5
0.536
VLA-UNK-f2612802-3
0.535
ALP-POS-c3a90b22-10
0.534
LUO-POS-e1dab717-17
0.532