Molecule Details
| Molecular Properties | |
| SMILES: | CN(C)CCCOc1ccc2cncc(N3CCC4(CN(S(=O)(=O)CC5(C#N)CC5)Cc5ccc(Cl)cc54)C3=O)c2c1 |
| MW: | 607.2 |
| Fraction sp3: | 0.45 |
| HBA: | 7 |
| HBD: | 0 |
| Rotatable Bonds: | 9 |
| TPSA: | 106.84 |
| cLogP: | 4.34 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-12-21 |
| Synthesis Location: | moonshot |
| Shipped: | 2022-01-26 |
Aliphatic long chain
Hetero_hetero
MAT-POS-853c0ffa-9
LUO-POS-8484f2d3-1
0.903
MAT-POS-853c0ffa-9
0.903
MAT-POS-38eb6498-1
0.903
MIK-ENA-8063e9dc-1
0.903
LUO-POS-8484f2d3-2
0.903
MIK-ENA-7066949b-1
0.903
MAT-POS-40ad851a-2
0.847
MAT-POS-40ad851a-3
0.839
MAT-POS-1a788f51-2
0.836
MAT-POS-1a788f51-1
0.835
MAT-POS-40ad851a-5
0.832
EDJ-MED-4138fde9-1
0.829
EDJ-MED-468565e0-1
0.815
EDJ-MED-468565e0-5
0.815
EDJ-MED-ee81482e-3
0.803
MAT-POS-1a788f51-3
0.802
MAT-POS-1a788f51-4
0.795
EDJ-MED-468565e0-4
0.795
MIK-ENA-bb7b6957-1
0.791
EDJ-MED-b6c6ee2b-3
0.791
MIK-ENA-60569a44-1
0.791
EDJ-MED-4138fde9-2
0.776
EDJ-MED-5cd3920d-1
0.771
EDJ-MED-468565e0-2
0.768
MAT-POS-853c0ffa-19
0.767
EDJ-MED-468565e0-3
0.762
MAT-POS-853c0ffa-10
0.754
EDJ-MED-ee81482e-2
0.746
EDJ-MED-ee81482e-1
0.744
EDJ-MED-b6c6ee2b-4
0.743
MAT-POS-40ad851a-1
0.742
EDJ-MED-5cd3920d-2
0.731
LUO-POS-d1147590-1
0.728
MAT-POS-853c0ffa-13
0.726
EDJ-MED-ee81482e-4
0.709
ALP-POS-ecbed2ba-4
0.707
MIK-ENA-5d9157e9-1
0.707
EDJ-MED-8bb691af-6
0.707
MIK-ENA-5d9157e9-2
0.707
MAT-POS-853c0ffa-11
0.697
MAT-POS-38eb6498-2
0.680
ALP-POS-ecbed2ba-8
0.667
ALP-POS-ecbed2ba-15
0.656
EDJ-MED-ee81482e-5
0.649
ALP-POS-ecbed2ba-11
0.648
MAT-POS-853c0ffa-6
0.645
ALP-POS-ecbed2ba-2
0.643
PET-UNK-c6bcc80b-4
0.641
PET-UNK-c6bcc80b-11
0.641
EDJ-MED-4138fde9-7
0.637
PET-UNK-94036022-9
0.628
PET-UNK-94036022-2
0.628
MAT-POS-853c0ffa-15
0.627
MAT-POS-1d5ab790-1
0.626
MAT-POS-853c0ffa-5
0.626
MAT-POS-853c0ffa-21
0.613
MAT-POS-853c0ffa-14
0.611
ALP-POS-133e7cd9-2
0.608
LUO-POS-e1dab717-7
0.606
PET-UNK-df7eb4e6-3
0.595
PET-UNK-df7eb4e6-7
0.595
ALP-POS-ecbed2ba-6
0.592
EDJ-MED-b6c6ee2b-1
0.591
MAT-POS-38eb6498-3
0.591
VLA-UNK-61877630-8
0.591
VLA-UNK-e334495f-2
0.591
ALP-POS-ecbed2ba-3
0.585
EDJ-MED-accc2c4d-3
0.585
MAT-POS-853c0ffa-20
0.581
MAT-POS-853c0ffa-12
0.580
ALP-POS-ecbed2ba-22
0.578
EDJ-MED-accc2c4d-1
0.576
PET-UNK-94036022-3
0.573
PET-UNK-94036022-10
0.573
MIK-ENA-30ee93be-1
0.569
VLA-UNK-61877630-10
0.567
EDJ-MED-5cd3920d-5
0.567
EDJ-MED-5cd3920d-6
0.567
ALP-POS-ecbed2ba-13
0.562
ALP-POS-ecbed2ba-1
0.562
PET-UNK-143b31ee-1
0.562
PET-UNK-143b31ee-4
0.562
EDJ-MED-3707c4bc-1
0.560
EDJ-MED-4138fde9-3
0.560
EDJ-MED-705e09b8-2
0.555
MAT-POS-853c0ffa-8
0.550
EDJ-MED-3707c4bc-2
0.548
MAT-POS-853c0ffa-18
0.547
EDJ-MED-accc2c4d-4
0.535
VLA-UNK-61877630-7
0.534
VLA-UNK-e334495f-1
0.534
EDJ-MED-4138fde9-4
0.531
ALP-POS-ecbed2ba-5
0.531
ALP-POS-ecbed2ba-17
0.531
ALP-POS-ecbed2ba-16
0.530
EDJ-MED-4138fde9-8
0.527
MAT-POS-853c0ffa-7
0.527
MAT-POS-853c0ffa-17
0.523
ALP-POS-c3a90b22-7
0.523
MAT-POS-853c0ffa-22
0.523