Molecule Details
| Molecular Properties | |
| SMILES: | CC(C)(C)NCCOc1ccc2cncc(N3CCC4(CN(S(=O)(=O)CC5(C#N)CC5)Cc5ccc(Cl)cc54)C3=O)c2c1 |
| MW: | 621.22 |
| Fraction sp3: | 0.47 |
| HBA: | 7 |
| HBD: | 1 |
| Rotatable Bonds: | 8 |
| TPSA: | 115.63 |
| cLogP: | 4.78 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-01-22 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Aliphatic long chain
Hetero_hetero
EDJ-MED-4138fde9-1
0.871
MAT-POS-1a788f51-3
0.842
MAT-POS-853c0ffa-9
0.817
MIK-ENA-8063e9dc-1
0.817
LUO-POS-8484f2d3-1
0.817
MAT-POS-38eb6498-1
0.817
LUO-POS-8484f2d3-2
0.817
MIK-ENA-7066949b-1
0.817
MAT-POS-1a788f51-2
0.815
EDJ-MED-4138fde9-2
0.815
MAT-POS-1a788f51-1
0.814
MAT-POS-40ad851a-4
0.795
MAT-POS-40ad851a-3
0.789
MAT-POS-40ad851a-2
0.782
EDJ-MED-468565e0-5
0.780
EDJ-MED-468565e0-1
0.780
EDJ-MED-b6c6ee2b-3
0.771
MIK-ENA-60569a44-1
0.771
MIK-ENA-bb7b6957-1
0.771
MAT-POS-40ad851a-5
0.768
EDJ-MED-468565e0-4
0.762
EDJ-MED-468565e0-2
0.750
EDJ-MED-468565e0-3
0.744
EDJ-MED-ee81482e-3
0.742
EDJ-MED-5cd3920d-1
0.738
EDJ-MED-ee81482e-2
0.728
EDJ-MED-ee81482e-1
0.726
MAT-POS-40ad851a-1
0.725
LUO-POS-d1147590-1
0.724
EDJ-MED-b6c6ee2b-4
0.724
MAT-POS-853c0ffa-11
0.707
EDJ-MED-5cd3920d-2
0.699
MAT-POS-853c0ffa-13
0.694
MAT-POS-853c0ffa-19
0.693
EDJ-MED-ee81482e-4
0.692
MAT-POS-853c0ffa-10
0.682
MAT-POS-38eb6498-2
0.677
MIK-ENA-5d9157e9-1
0.661
EDJ-MED-8bb691af-6
0.661
ALP-POS-ecbed2ba-4
0.661
MIK-ENA-5d9157e9-2
0.661
PET-UNK-c6bcc80b-11
0.651
PET-UNK-c6bcc80b-4
0.651
MAT-POS-853c0ffa-15
0.625
ALP-POS-ecbed2ba-8
0.624
EDJ-MED-ee81482e-5
0.622
MAT-POS-853c0ffa-6
0.616
ALP-POS-ecbed2ba-15
0.614
PET-UNK-df7eb4e6-3
0.606
PET-UNK-df7eb4e6-7
0.606
EDJ-MED-4138fde9-3
0.606
MAT-POS-1d5ab790-1
0.598
MAT-POS-853c0ffa-5
0.598
EDJ-MED-4138fde9-7
0.597
ALP-POS-ecbed2ba-11
0.595
ALP-POS-ecbed2ba-2
0.591
MAT-POS-853c0ffa-20
0.580
MAT-POS-853c0ffa-12
0.579
PET-UNK-94036022-2
0.575
PET-UNK-94036022-9
0.575
EDJ-MED-4138fde9-4
0.574
MAT-POS-853c0ffa-21
0.574
MAT-POS-853c0ffa-14
0.573
LUO-POS-e1dab717-7
0.569
ALP-POS-133e7cd9-2
0.569
ALP-POS-ecbed2ba-13
0.550
ALP-POS-ecbed2ba-3
0.547
MAT-POS-38eb6498-3
0.543
EDJ-MED-b6c6ee2b-1
0.543
EDJ-MED-705e09b8-2
0.542
ALP-POS-ecbed2ba-6
0.542
ALP-POS-ecbed2ba-22
0.541
VLA-UNK-e334495f-2
0.541
VLA-UNK-61877630-8
0.541
EDJ-MED-accc2c4d-1
0.538
PET-UNK-143b31ee-4
0.537
PET-UNK-143b31ee-1
0.537
PET-UNK-94036022-3
0.535
EDJ-MED-accc2c4d-3
0.535
PET-UNK-94036022-10
0.535
EDJ-MED-3707c4bc-2
0.535
MIK-ENA-26b331e0-1
0.531
VLA-UNK-61877630-10
0.530
EDJ-MED-5cd3920d-6
0.530
ALP-POS-ecbed2ba-1
0.526
MIK-ENA-30ee93be-1
0.524
EDJ-MED-3707c4bc-1
0.523
EDJ-MED-5cd3920d-5
0.519
MAT-POS-853c0ffa-8
0.515
MAT-POS-853c0ffa-18
0.511
MAT-POS-853c0ffa-22
0.511
LUO-POS-e1dab717-5
0.511
EDJ-MED-4138fde9-5
0.511
EDJ-MED-3af0740c-3
0.510
ALP-POS-ecbed2ba-5
0.507
MAT-POS-853c0ffa-16
0.507
ALP-POS-c3a90b22-7
0.500
EDJ-MED-accc2c4d-4
0.500
LUO-POS-868e8996-10
0.496
MAT-POS-1bed62cf-1
0.496