Molecule Details
| Molecular Properties | |
| SMILES: | CN(C)CC(O)COc1ccc2cncc(N3CCC4(CN(S(=O)(=O)CC5(C#N)CC5)Cc5ccc(Cl)cc54)C3=O)c2c1 |
| MW: | 623.2 |
| Fraction sp3: | 0.45 |
| HBA: | 8 |
| HBD: | 1 |
| Rotatable Bonds: | 9 |
| TPSA: | 127.07 |
| cLogP: | 3.31 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-12-21 |
| Synthesis Location: | moonshot |
| Shipped: | synthesis in progress |
Hetero_hetero
![CN(C)CCOc1ccc2cncc(N3CC[C@@]4(CN(S(=O)(=O)CC5(C#N)CC5)Cc5ccc(Cl)cc54)C3=O)c2c1](/static/images/loading.7a8cbb7079d7.gif)
LUO-POS-8484f2d3-1
0.810
MAT-POS-853c0ffa-9
0.810
MAT-POS-38eb6498-1
0.810
MIK-ENA-8063e9dc-1
0.810
LUO-POS-8484f2d3-2
0.810
MIK-ENA-7066949b-1
0.810
MAT-POS-40ad851a-4
0.803
MAT-POS-1a788f51-1
0.792
MAT-POS-1a788f51-2
0.779
MAT-POS-40ad851a-2
0.776
EDJ-MED-4138fde9-1
0.772
MAT-POS-40ad851a-3
0.768
MIK-ENA-bb7b6957-1
0.765
EDJ-MED-b6c6ee2b-3
0.765
MIK-ENA-60569a44-1
0.765
MAT-POS-1a788f51-3
0.762
EDJ-MED-5cd3920d-1
0.760
EDJ-MED-468565e0-1
0.746
EDJ-MED-468565e0-5
0.746
MAT-POS-1a788f51-4
0.742
MAT-POS-40ad851a-5
0.734
EDJ-MED-468565e0-4
0.729
EDJ-MED-468565e0-3
0.725
EDJ-MED-ee81482e-2
0.722
EDJ-MED-ee81482e-1
0.720
MAT-POS-40ad851a-1
0.720
LUO-POS-d1147590-1
0.719
EDJ-MED-b6c6ee2b-4
0.718
EDJ-MED-468565e0-2
0.718
EDJ-MED-4138fde9-2
0.712
EDJ-MED-5cd3920d-2
0.707
MAT-POS-853c0ffa-19
0.701
MAT-POS-853c0ffa-13
0.689
MAT-POS-853c0ffa-11
0.688
EDJ-MED-ee81482e-4
0.687
MAT-POS-853c0ffa-10
0.677
MAT-POS-38eb6498-2
0.672
MIK-ENA-5d9157e9-1
0.669
EDJ-MED-8bb691af-6
0.669
MIK-ENA-5d9157e9-2
0.669
ALP-POS-ecbed2ba-4
0.669
ALP-POS-ecbed2ba-8
0.632
ALP-POS-ecbed2ba-15
0.622
EDJ-MED-ee81482e-5
0.618
ALP-POS-ecbed2ba-11
0.615
MAT-POS-853c0ffa-6
0.611
PET-UNK-c6bcc80b-4
0.609
PET-UNK-c6bcc80b-11
0.609
MAT-POS-853c0ffa-15
0.608
MAT-POS-1d5ab790-1
0.606
MAT-POS-853c0ffa-5
0.606
EDJ-MED-4138fde9-7
0.605
ALP-POS-ecbed2ba-2
0.598
PET-UNK-94036022-9
0.583
PET-UNK-94036022-2
0.583
MAT-POS-853c0ffa-21
0.581
ALP-POS-133e7cd9-2
0.577
PET-UNK-df7eb4e6-3
0.577
PET-UNK-df7eb4e6-7
0.577
MAT-POS-853c0ffa-20
0.576
MAT-POS-853c0ffa-14
0.568
ALP-POS-ecbed2ba-3
0.567
MAT-POS-853c0ffa-12
0.563
EDJ-MED-accc2c4d-3
0.555
LUO-POS-e1dab717-7
0.554
ALP-POS-ecbed2ba-6
0.550
VLA-UNK-61877630-8
0.549
ALP-POS-ecbed2ba-22
0.549
VLA-UNK-e334495f-2
0.549
EDJ-MED-accc2c4d-1
0.546
ALP-POS-ecbed2ba-1
0.545
PET-UNK-94036022-3
0.543
PET-UNK-94036022-10
0.543
EDJ-MED-3707c4bc-1
0.543
EDJ-MED-b6c6ee2b-1
0.540
MAT-POS-38eb6498-3
0.540
EDJ-MED-705e09b8-2
0.538
EDJ-MED-5cd3920d-5
0.538
ALP-POS-ecbed2ba-13
0.534
PET-UNK-143b31ee-1
0.533
PET-UNK-143b31ee-4
0.533
EDJ-MED-4138fde9-3
0.532
MIK-ENA-30ee93be-1
0.531
VLA-UNK-61877630-10
0.526
EDJ-MED-5cd3920d-6
0.526
EDJ-MED-3707c4bc-2
0.519
MAT-POS-853c0ffa-18
0.519
MAT-POS-853c0ffa-8
0.511
EDJ-MED-accc2c4d-4
0.508
MAT-POS-853c0ffa-17
0.507
MAT-POS-853c0ffa-22
0.507
MAT-POS-1bed62cf-1
0.504
LUO-POS-868e8996-9
0.504
LUO-POS-868e8996-10
0.504
ALP-POS-ecbed2ba-5
0.504
ALP-POS-ecbed2ba-17
0.504
EDJ-MED-4138fde9-8
0.500
MAT-POS-853c0ffa-7
0.500
LUO-POS-e1dab717-16
0.500
EDJ-MED-4138fde9-9
0.500