Molecule Details
| Molecular Properties | |
| SMILES: | O=C(O)CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
| MW: | 421.12 |
| Fraction sp3: | 0.26 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 73.74 |
| cLogP: | 3.46 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-02-05 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
EDJ-MED-8bb691af-4
0.843
MAT-POS-c7726e07-5
0.843
LUO-POS-868e8996-12
0.843
LUO-POS-868e8996-11
0.843
MAT-POS-c7726e07-6
0.843
MAT-POS-69786b79-3
0.798
MIK-ENA-1494235a-1
0.789
MIK-ENA-4ed700b1-1
0.789
BRU-THA-ae0174a8-1
0.789
ALP-POS-ecbed2ba-12
0.789
ALP-POS-ecbed2ba-14
0.789
MAT-POS-566864e2-1
0.789
MAT-POS-566864e2-2
0.789
MIK-ENA-4a1c9a78-1
0.789
MAT-POS-e75f6e44-1
0.789
MAT-POS-e75f6e44-5
0.789
MAT-POS-69786b79-2
0.789
MAT-POS-e75f6e44-12
0.784
EDJ-MED-6b23330e-1
0.781
EDJ-MED-6b23330e-2
0.781
MAT-POS-e75f6e44-4
0.781
EDJ-MED-6b23330e-5
0.781
EDJ-MED-6b23330e-7
0.781
MAT-POS-e75f6e44-2
0.781
MAT-POS-e75f6e44-3
0.781
EDJ-MED-6b23330e-4
0.773
MAT-POS-e75f6e44-7
0.773
MAT-POS-e75f6e44-17
0.773
MAT-POS-69786b79-4
0.765
EDJ-MED-6b23330e-6
0.765
MAT-POS-e75f6e44-6
0.765
MAT-POS-e75f6e44-13
0.765
MAT-POS-e75f6e44-15
0.765
MAT-POS-e75f6e44-19
0.765
MAT-POS-e75f6e44-10
0.758
EDJ-MED-33064c06-16
0.758
MAT-POS-e75f6e44-11
0.758
MAT-POS-e75f6e44-14
0.758
MAT-POS-e75f6e44-18
0.750
MAT-POS-e75f6e44-20
0.750
MAT-POS-e75f6e44-8
0.743
MAT-POS-e75f6e44-9
0.743
MAT-POS-e75f6e44-16
0.743
MAT-POS-e75f6e44-21
0.743
MIK-ENA-9eb8d9fb-1
0.735
EDJ-MED-6b23330e-3
0.735
VLA-UNK-3bd6fc51-1
0.734
ALP-POS-c3a90b22-6
0.732
EDJ-MED-40e596c8-1
0.722
ALP-POS-133e7cd9-1
0.711
ALP-POS-c3a90b22-7
0.693
EDJ-MED-40e596c8-3
0.689
EDJ-MED-40e596c8-2
0.686
EDJ-MED-7587a9ee-3
0.684
MAT-POS-ddfe83c6-6
0.677
PET-UNK-7e9559de-1
0.676
MAT-POS-96396902-1
0.676
PET-UNK-7e9559de-4
0.676
ALP-POS-ecbed2ba-20
0.670
ALP-POS-ecbed2ba-18
0.663
LUO-POS-ed2cfb03-2
0.663
MAT-POS-38eb6498-5
0.654
LUO-POS-e1dab717-1
0.653
MAT-POS-69786b79-1
0.653
MAT-POS-576f7758-1
0.653
ALP-POS-ecbed2ba-7
0.653
MAT-POS-566864e2-4
0.653
MAT-POS-566864e2-3
0.653
MAT-POS-b4d6b7fc-5
0.650
LUO-POS-b4dec3be-1
0.650
MIK-ENA-4bb8c98f-1
0.650
MIK-ENA-610c7cf9-1
0.650
LUO-POS-b4dec3be-2
0.650
EDJ-MED-accc2c4d-1
0.650
PET-UNK-94036022-3
0.647
ALP-POS-ecbed2ba-3
0.647
PET-UNK-94036022-10
0.647
EDJ-MED-accc2c4d-3
0.647
EDJ-MED-3707c4bc-1
0.647
EDJ-MED-3707c4bc-2
0.647
ALP-POS-ecbed2ba-19
0.644
VLA-UNK-5d8210f0-2
0.641
ALP-POS-c3a90b22-2
0.641
EDJ-MED-cc48ee33-3
0.641
MIK-ENA-f73d8b60-1
0.638
EDJ-MED-5cd3920d-6
0.638
EDJ-MED-b6c6ee2b-2
0.638
VLA-UNK-61877630-10
0.638
LUO-POS-ed2cfb03-1
0.637
ALP-POS-ecbed2ba-10
0.635
EDJ-MED-4138fde9-8
0.635
EDJ-MED-cc48ee33-4
0.635
PET-UNK-94036022-2
0.635
PET-UNK-94036022-9
0.635
ALP-POS-afe0272e-1
0.634
EDJ-MED-4138fde9-9
0.632
ALP-POS-ecbed2ba-8
0.632
EDJ-MED-accc2c4d-4
0.631
MAT-POS-b4d6b7fc-7
0.630
ALP-POS-ecbed2ba-4
0.629