Molecule Details
| Molecular Properties | |
| SMILES: | CC(C)(C#N)CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
| MW: | 501.19 |
| Fraction sp3: | 0.36 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 89.33 |
| cLogP: | 4.04 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-01-22 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-ecbed2ba-12
EDJ-MED-6b23330e-7
0.842
EDJ-MED-6b23330e-2
0.842
EDJ-MED-6b23330e-4
0.833
EDJ-MED-6b23330e-6
0.825
BRU-THA-ae0174a8-1
0.814
ALP-POS-ecbed2ba-14
0.814
MAT-POS-e75f6e44-1
0.779
MAT-POS-e75f6e44-5
0.779
EDJ-MED-8bb691af-4
0.772
LUO-POS-868e8996-11
0.772
MAT-POS-c7726e07-5
0.772
LUO-POS-868e8996-12
0.772
MAT-POS-c7726e07-6
0.772
MAT-POS-e75f6e44-11
0.766
EDJ-MED-6b23330e-1
0.755
MAT-POS-e75f6e44-4
0.755
EDJ-MED-6b23330e-5
0.755
MAT-POS-e75f6e44-17
0.748
MAT-POS-e75f6e44-7
0.748
ALP-POS-ecbed2ba-12
0.745
MAT-POS-566864e2-2
0.745
MAT-POS-566864e2-1
0.745
MAT-POS-e75f6e44-19
0.741
MAT-POS-69786b79-4
0.741
MAT-POS-e75f6e44-6
0.741
MAT-POS-e75f6e44-2
0.738
MAT-POS-69786b79-3
0.736
LUO-POS-e1dab717-19
0.735
MAT-POS-e75f6e44-10
0.734
EDJ-MED-33064c06-16
0.734
MIK-ENA-1494235a-1
0.729
MIK-ENA-4ed700b1-1
0.729
MAT-POS-69786b79-2
0.729
MIK-ENA-4a1c9a78-1
0.729
MAT-POS-e75f6e44-13
0.725
MAT-POS-e75f6e44-12
0.725
MAT-POS-e75f6e44-15
0.725
MAT-POS-e75f6e44-16
0.721
MAT-POS-e75f6e44-21
0.721
MAT-POS-e75f6e44-14
0.718
MAT-POS-e75f6e44-18
0.712
MAT-POS-e75f6e44-20
0.712
MAT-POS-e75f6e44-3
0.706
MAT-POS-e75f6e44-9
0.705
MAT-POS-e75f6e44-8
0.705
MIK-ENA-9eb8d9fb-1
0.684
ALP-POS-ecbed2ba-13
0.664
ALP-POS-c3a90b22-6
0.664
ALP-POS-133e7cd9-1
0.661
VLA-UNK-3bd6fc51-1
0.648
EDJ-MED-40e596c8-1
0.640
ALP-POS-c3a90b22-7
0.632
MAT-POS-ddfe83c6-6
0.631
EDJ-MED-40e596c8-3
0.629
LUO-POS-b4dec3be-2
0.623
MAT-POS-b4d6b7fc-5
0.623
LUO-POS-b4dec3be-1
0.623
MIK-ENA-610c7cf9-1
0.623
MIK-ENA-4bb8c98f-1
0.623
LUO-POS-ed2cfb03-2
0.618
MAT-POS-38eb6498-5
0.612
EDJ-MED-b6c6ee2b-2
0.612
ALP-POS-afe0272e-1
0.607
EDJ-MED-7587a9ee-3
0.606
EDJ-MED-accc2c4d-3
0.605
EDJ-MED-4cb9dd84-3
0.603
VLA-UNK-5d8210f0-2
0.600
EDJ-MED-40e596c8-2
0.598
MIK-ENA-f73d8b60-1
0.598
MAT-POS-566864e2-4
0.596
MAT-POS-69786b79-1
0.596
LUO-POS-e1dab717-1
0.596
ALP-POS-ecbed2ba-7
0.596
MAT-POS-576f7758-1
0.596
MAT-POS-566864e2-3
0.596
EDJ-MED-accc2c4d-1
0.595
EDJ-MED-3707c4bc-2
0.591
PET-UNK-7e9559de-1
0.590
PET-UNK-7e9559de-4
0.590
MAT-POS-96396902-1
0.590
ALP-POS-c3a90b22-2
0.586
ALP-POS-ecbed2ba-17
0.585
EDJ-MED-33064c06-1
0.585
EDJ-MED-b6c6ee2b-1
0.584
MAT-POS-38eb6498-3
0.584
ALP-POS-ecbed2ba-16
0.583
ALP-POS-ecbed2ba-8
0.580
EDJ-MED-33064c06-12
0.580
MAT-POS-b4d6b7fc-7
0.579
EDJ-MED-accc2c4d-4
0.578
ALP-POS-ecbed2ba-18
0.578
EDJ-MED-8bb691af-6
0.576
MIK-ENA-5d9157e9-1
0.576
EDJ-MED-accc2c4d-2
0.576
ALP-POS-ecbed2ba-4
0.576
MIK-ENA-5d9157e9-2
0.576
EDJ-MED-cc48ee33-3
0.573
ALP-POS-c3a90b22-4
0.571
ALP-POS-ecbed2ba-15
0.570
EDJ-MED-59d5ca70-2
0.570