Molecule Details
| Molecular Properties | |
| SMILES: | C[C@@H](NC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1)C1CC1 |
| 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 |
ALP-POS-ecbed2ba-12
MAT-POS-e75f6e44-9
1.000
LUO-POS-868e8996-11
0.780
LUO-POS-868e8996-12
0.780
MAT-POS-c7726e07-6
0.780
EDJ-MED-8bb691af-4
0.780
MAT-POS-c7726e07-5
0.780
MAT-POS-69786b79-2
0.769
EDJ-MED-6b23330e-1
0.762
MAT-POS-69786b79-3
0.760
MAT-POS-566864e2-2
0.752
MAT-POS-566864e2-1
0.752
ALP-POS-ecbed2ba-12
0.752
EDJ-MED-6b23330e-6
0.748
EDJ-MED-6b23330e-2
0.745
EDJ-MED-6b23330e-7
0.745
LUO-POS-e1dab717-19
0.743
EDJ-MED-6b23330e-4
0.738
BRU-THA-ae0174a8-1
0.736
ALP-POS-ecbed2ba-14
0.736
MAT-POS-e75f6e44-5
0.736
MAT-POS-e75f6e44-13
0.731
EDJ-MED-6b23330e-5
0.729
MAT-POS-e75f6e44-4
0.729
MAT-POS-e75f6e44-7
0.722
MIK-ENA-1494235a-1
0.720
MIK-ENA-4ed700b1-1
0.720
MAT-POS-e75f6e44-1
0.720
MIK-ENA-4a1c9a78-1
0.720
MAT-POS-e75f6e44-6
0.716
MAT-POS-e75f6e44-19
0.716
MAT-POS-e75f6e44-3
0.713
MAT-POS-e75f6e44-2
0.713
MAT-POS-e75f6e44-16
0.712
MAT-POS-e75f6e44-21
0.712
EDJ-MED-33064c06-16
0.709
MAT-POS-e75f6e44-10
0.709
MAT-POS-e75f6e44-14
0.709
MAT-POS-e75f6e44-17
0.706
EDJ-MED-6b23330e-3
0.705
MAT-POS-e75f6e44-18
0.703
MAT-POS-e75f6e44-20
0.703
ALP-POS-c3a90b22-6
0.701
MAT-POS-69786b79-4
0.700
MAT-POS-e75f6e44-12
0.700
MAT-POS-e75f6e44-15
0.700
MAT-POS-e75f6e44-11
0.694
MIK-ENA-9eb8d9fb-1
0.690
ALP-POS-133e7cd9-1
0.667
VLA-UNK-3bd6fc51-1
0.654
EDJ-MED-40e596c8-3
0.649
EDJ-MED-40e596c8-1
0.645
MAT-POS-ddfe83c6-6
0.636
EDJ-MED-40e596c8-2
0.632
MAT-POS-38eb6498-5
0.617
MAT-POS-69786b79-1
0.616
LUO-POS-e1dab717-1
0.616
MAT-POS-576f7758-1
0.616
MAT-POS-566864e2-3
0.616
ALP-POS-ecbed2ba-7
0.616
MAT-POS-566864e2-4
0.616
MIK-ENA-4bb8c98f-1
0.614
LUO-POS-b4dec3be-1
0.614
MIK-ENA-610c7cf9-1
0.614
LUO-POS-b4dec3be-2
0.614
MAT-POS-b4d6b7fc-5
0.614
EDJ-MED-4cb9dd84-3
0.609
VLA-UNK-5d8210f0-2
0.605
ALP-POS-c3a90b22-2
0.605
EDJ-MED-b6c6ee2b-2
0.603
EDJ-MED-59d5ca70-2
0.602
ALP-POS-afe0272e-1
0.598
ALP-POS-ecbed2ba-18
0.596
EDJ-MED-3707c4bc-1
0.596
EDJ-MED-7587a9ee-3
0.596
PET-UNK-7e9559de-4
0.595
MAT-POS-96396902-1
0.595
ALP-POS-c3a90b22-7
0.595
PET-UNK-7e9559de-1
0.595
LUO-POS-ed2cfb03-2
0.595
MIK-ENA-f73d8b60-1
0.590
ALP-POS-c3a90b22-4
0.590
ALP-POS-c3a90b22-10
0.588
MAT-POS-be048f2c-6
0.588
MAT-POS-b4d6b7fc-7
0.583
EDJ-MED-3707c4bc-2
0.583
MAT-POS-b4d6b7fc-6
0.578
EDJ-MED-cc48ee33-3
0.578
MAT-POS-1d5ab790-2
0.578
EDJ-MED-cc48ee33-5
0.576
MAT-POS-38eb6498-3
0.576
EDJ-MED-b6c6ee2b-1
0.576
LUO-POS-e1dab717-17
0.574
ALP-POS-ecbed2ba-10
0.573
EDJ-MED-cc48ee33-4
0.573
ALP-POS-ecbed2ba-13
0.571
ALP-POS-ecbed2ba-20
0.571
ALP-POS-ecbed2ba-3
0.569
VLA-UNK-5d8210f0-1
0.569
ALP-POS-ecbed2ba-19
0.568
PET-UNK-eeb64427-1
0.564