Molecule Details
| Molecular Properties | |
| SMILES: | O=C(CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccc(Cl)cc34)C2=O)C1)NCC1CC1 |
| MW: | 508.14 |
| Fraction sp3: | 0.37 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 65.54 |
| cLogP: | 4.56 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-01-22 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
ALP-POS-ecbed2ba-12
ALP-POS-ecbed2ba-12
0.808
MAT-POS-566864e2-1
0.808
MAT-POS-566864e2-2
0.808
MAT-POS-ddfe83c6-6
0.804
MAT-POS-e75f6e44-13
0.767
MIK-ENA-f73d8b60-1
0.740
MAT-POS-e75f6e44-20
0.720
MAT-POS-e75f6e44-14
0.710
MAT-POS-e75f6e44-18
0.704
MAT-POS-e75f6e44-16
0.697
MAT-POS-e75f6e44-21
0.697
EDJ-MED-b6c6ee2b-2
0.676
MIK-ENA-9eb8d9fb-1
0.676
MIK-ENA-434a856c-1
0.673
MIK-ENA-610c7cf9-1
0.673
MIK-ENA-93ef1e28-1
0.673
MAT-POS-b4d6b7fc-5
0.673
MIK-ENA-4bb8c98f-1
0.673
LUO-POS-b4dec3be-1
0.673
LUO-POS-b4dec3be-2
0.673
EDJ-MED-4cb9dd84-2
0.673
MAT-POS-38eb6498-5
0.661
EDJ-MED-6b23330e-1
0.651
LUO-POS-868e8996-11
0.648
MAT-POS-c7726e07-5
0.648
LUO-POS-868e8996-12
0.648
EDJ-MED-8bb691af-4
0.648
MAT-POS-c7726e07-6
0.648
BRU-THA-ae0174a8-1
0.642
ALP-POS-ecbed2ba-14
0.642
MAT-POS-69786b79-2
0.642
MAT-POS-e75f6e44-5
0.642
MAT-POS-e75f6e44-1
0.642
EDJ-MED-6b23330e-6
0.640
MAT-POS-e75f6e44-2
0.636
EDJ-MED-6b23330e-2
0.636
MAT-POS-e75f6e44-4
0.636
EDJ-MED-6b23330e-5
0.636
EDJ-MED-6b23330e-7
0.636
MAT-POS-e75f6e44-10
0.634
EDJ-MED-33064c06-16
0.634
MAT-POS-e75f6e44-17
0.631
EDJ-MED-6b23330e-4
0.631
MAT-POS-e75f6e44-7
0.631
LUO-POS-e1dab717-19
0.629
MAT-POS-38eb6498-3
0.627
EDJ-MED-b6c6ee2b-1
0.627
MAT-POS-e75f6e44-12
0.625
MAT-POS-e75f6e44-6
0.625
MAT-POS-e75f6e44-15
0.625
MAT-POS-e75f6e44-19
0.625
MAT-POS-e75f6e44-11
0.619
MAT-POS-69786b79-3
0.618
LUO-POS-e1dab717-3
0.615
MAT-POS-69786b79-4
0.611
MAT-POS-e75f6e44-9
0.609
MAT-POS-e75f6e44-8
0.609
MAT-POS-e75f6e44-3
0.607
EDJ-MED-6b23330e-3
0.603
MIK-ENA-4a1c9a78-1
0.598
MIK-ENA-1494235a-1
0.598
MIK-ENA-4ed700b1-1
0.598
MIK-ENA-30ee93be-1
0.589
EDJ-MED-40e596c8-2
0.574
EDJ-MED-59d5ca70-2
0.573
EDJ-MED-b6c6ee2b-4
0.570
PET-UNK-c6bcc80b-12
0.567
PET-UNK-c6bcc80b-5
0.567
EDJ-MED-4cb9dd84-1
0.565
EDJ-MED-40e596c8-3
0.564
MIK-ENA-26b331e0-1
0.557
MAT-POS-b4d6b7fc-7
0.555
ALP-POS-c3a90b22-6
0.553
ALP-POS-133e7cd9-1
0.549
PET-UNK-df7eb4e6-1
0.548
PET-UNK-df7eb4e6-5
0.548
MAT-POS-b4d6b7fc-6
0.548
MAT-POS-1d5ab790-2
0.548
LUO-POS-8c3e556a-1
0.545
LUO-POS-8c3e556a-2
0.545
EDG-MED-b1ef7fe3-1
0.545
ALP-POS-c3a90b22-11
0.538
VLA-UNK-3bd6fc51-1
0.536
EDJ-MED-40e596c8-1
0.530
LUO-POS-e1dab717-12
0.529
PET-UNK-7e9559de-1
0.513
MAT-POS-96396902-1
0.513
PET-UNK-7e9559de-4
0.513
LUO-POS-e1dab717-5
0.512
PET-UNK-eeb64427-4
0.508
LUO-POS-e1dab717-4
0.508
PET-UNK-eeb64427-1
0.508
MAT-POS-be048f2c-7
0.508
EDJ-MED-4138fde9-3
0.504
MIK-UNK-122557fa-1
0.500
EDJ-MED-705e09b8-1
0.500
MIK-UNK-1619f2e2-1
0.500
ALP-POS-c3a90b22-7
0.500
EDJ-MED-ee81482e-1
0.496
EDJ-MED-33064c06-4
0.496