Molecule Details
| Molecular Properties | |
| SMILES: | NCC1(NC(=O)CN2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CC1 |
| MW: | 489.19 |
| Fraction sp3: | 0.37 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 91.56 |
| cLogP: | 2.99 |
| 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-69786b79-3
0.816
EDJ-MED-8bb691af-4
0.802
LUO-POS-868e8996-11
0.802
MAT-POS-c7726e07-5
0.802
LUO-POS-868e8996-12
0.802
MAT-POS-c7726e07-6
0.802
MAT-POS-69786b79-4
0.784
LUO-POS-e1dab717-19
0.781
MAT-POS-e75f6e44-6
0.767
BRU-THA-ae0174a8-1
0.755
ALP-POS-ecbed2ba-12
0.755
ALP-POS-ecbed2ba-14
0.755
MAT-POS-69786b79-2
0.755
MAT-POS-e75f6e44-1
0.755
MAT-POS-566864e2-2
0.755
MAT-POS-566864e2-1
0.755
MAT-POS-e75f6e44-5
0.755
EDJ-MED-6b23330e-1
0.748
EDJ-MED-6b23330e-7
0.748
EDJ-MED-6b23330e-2
0.748
MAT-POS-e75f6e44-4
0.748
MAT-POS-e75f6e44-2
0.748
EDJ-MED-6b23330e-5
0.748
MAT-POS-e75f6e44-17
0.740
EDJ-MED-6b23330e-4
0.740
MAT-POS-e75f6e44-7
0.740
MIK-ENA-4a1c9a78-1
0.738
MIK-ENA-1494235a-1
0.738
MIK-ENA-4ed700b1-1
0.738
EDJ-MED-6b23330e-6
0.733
MAT-POS-e75f6e44-13
0.733
MAT-POS-e75f6e44-19
0.733
MAT-POS-e75f6e44-12
0.733
MAT-POS-e75f6e44-15
0.733
MAT-POS-e75f6e44-10
0.726
EDJ-MED-33064c06-16
0.726
MAT-POS-e75f6e44-11
0.726
MAT-POS-e75f6e44-14
0.726
MAT-POS-e75f6e44-18
0.720
MAT-POS-e75f6e44-20
0.720
MAT-POS-e75f6e44-9
0.713
MAT-POS-e75f6e44-16
0.713
MAT-POS-e75f6e44-21
0.713
MAT-POS-e75f6e44-8
0.713
EDJ-MED-6b23330e-3
0.706
ALP-POS-c3a90b22-6
0.702
ALP-POS-133e7cd9-1
0.699
MIK-ENA-9eb8d9fb-1
0.691
VLA-UNK-3bd6fc51-1
0.670
EDJ-MED-40e596c8-1
0.660
MAT-POS-ddfe83c6-6
0.651
EDJ-MED-40e596c8-3
0.649
ALP-POS-afe0272e-1
0.642
VLA-UNK-5d8210f0-2
0.633
MAT-POS-38eb6498-5
0.631
EDJ-MED-40e596c8-2
0.631
LUO-POS-b4dec3be-2
0.627
MAT-POS-b4d6b7fc-5
0.627
LUO-POS-b4dec3be-1
0.627
MIK-ENA-610c7cf9-1
0.627
MIK-ENA-4bb8c98f-1
0.627
MAT-POS-96396902-1
0.622
PET-UNK-7e9559de-1
0.622
PET-UNK-7e9559de-4
0.622
ALP-POS-c3a90b22-7
0.622
EDJ-MED-b6c6ee2b-2
0.616
MAT-POS-566864e2-4
0.615
MAT-POS-69786b79-1
0.615
LUO-POS-e1dab717-1
0.615
ALP-POS-ecbed2ba-7
0.615
MAT-POS-576f7758-1
0.615
MAT-POS-566864e2-3
0.615
EDJ-MED-59d5ca70-2
0.614
EDJ-MED-7587a9ee-3
0.610
LUO-POS-ed2cfb03-2
0.607
EDJ-MED-4cb9dd84-3
0.607
ALP-POS-c3a90b22-2
0.604
MIK-ENA-f73d8b60-1
0.602
EDJ-MED-b6c6ee2b-1
0.600
MAT-POS-38eb6498-3
0.600
ALP-POS-ecbed2ba-20
0.598
MAT-POS-b4d6b7fc-7
0.595
EDJ-MED-3707c4bc-1
0.595
ALP-POS-ecbed2ba-18
0.595
EDJ-MED-cc48ee33-3
0.589
ALP-POS-c3a90b22-4
0.588
EDJ-MED-cc48ee33-4
0.584
EDJ-MED-accc2c4d-1
0.584
VLA-UNK-5d8210f0-1
0.580
EDJ-MED-accc2c4d-3
0.580
ALP-POS-ecbed2ba-3
0.580
PET-UNK-94036022-3
0.580
PET-UNK-94036022-10
0.580
EDJ-MED-3707c4bc-2
0.580
ALP-POS-ecbed2ba-19
0.579
MAT-POS-1d5ab790-2
0.575
PET-UNK-eeb64427-1
0.575
PET-UNK-df7eb4e6-5
0.575
PET-UNK-df7eb4e6-1
0.575
MAT-POS-b4d6b7fc-6
0.575