Molecule Details
| Molecular Properties | |
| SMILES: | CN(C)CCOc1ccc2cncc(N3CC[C@@]4(CN(S(=O)(=O)CC5(C#N)CC5)Cc5ccc(Cl)cc54)C3=O)c2c1 |
| MW: | 593.19 |
| Fraction sp3: | 0.43 |
| HBA: | 7 |
| HBD: | 0 |
| Rotatable Bonds: | 8 |
| TPSA: | 106.84 |
| cLogP: | 3.95 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-12-21 |
| Synthesis Location: | moonshot |
| Shipped: | 2022-01-26 |
Hetero_hetero
MAT-POS-853c0ffa-9
LUO-POS-8484f2d3-1
1.000
LUO-POS-8484f2d3-2
1.000
MIK-ENA-7066949b-1
1.000
MAT-POS-853c0ffa-9
1.000
MAT-POS-38eb6498-1
1.000
MAT-POS-40ad851a-4
0.903
MAT-POS-40ad851a-2
0.887
MAT-POS-40ad851a-3
0.878
MAT-POS-853c0ffa-19
0.851
MAT-POS-1a788f51-2
0.843
MAT-POS-1a788f51-1
0.842
MAT-POS-853c0ffa-10
0.836
EDJ-MED-4138fde9-1
0.836
MAT-POS-1a788f51-4
0.817
EDJ-MED-ee81482e-3
0.810
MAT-POS-1a788f51-3
0.808
EDJ-MED-468565e0-5
0.807
EDJ-MED-468565e0-1
0.807
MIK-ENA-60569a44-1
0.798
MIK-ENA-bb7b6957-1
0.798
EDJ-MED-b6c6ee2b-3
0.798
MAT-POS-40ad851a-5
0.793
EDJ-MED-468565e0-4
0.787
EDJ-MED-468565e0-2
0.774
EDJ-MED-4138fde9-2
0.768
EDJ-MED-468565e0-3
0.768
EDJ-MED-5cd3920d-1
0.763
EDJ-MED-ee81482e-2
0.752
EDJ-MED-ee81482e-1
0.750
EDJ-MED-b6c6ee2b-4
0.750
MAT-POS-40ad851a-1
0.748
LUO-POS-d1147590-1
0.734
EDJ-MED-5cd3920d-2
0.723
MAT-POS-853c0ffa-13
0.718
EDJ-MED-ee81482e-4
0.714
EDJ-MED-8bb691af-6
0.713
MIK-ENA-5d9157e9-1
0.713
ALP-POS-ecbed2ba-4
0.713
MIK-ENA-5d9157e9-2
0.713
MAT-POS-853c0ffa-11
0.702
MAT-POS-38eb6498-2
0.685
LUO-POS-e1dab717-7
0.675
ALP-POS-ecbed2ba-8
0.672
ALP-POS-ecbed2ba-15
0.661
MAT-POS-38eb6498-3
0.659
EDJ-MED-b6c6ee2b-1
0.659
ALP-POS-ecbed2ba-11
0.653
MAT-POS-853c0ffa-6
0.650
MAT-POS-853c0ffa-15
0.645
EDJ-MED-4138fde9-7
0.642
EDJ-MED-ee81482e-5
0.641
ALP-POS-ecbed2ba-2
0.635
MIK-ENA-30ee93be-1
0.634
PET-UNK-c6bcc80b-4
0.633
PET-UNK-c6bcc80b-11
0.633
MAT-POS-853c0ffa-5
0.631
MAT-POS-1d5ab790-1
0.631
PET-UNK-94036022-2
0.620
PET-UNK-94036022-9
0.620
ALP-POS-133e7cd9-2
0.613
MAT-POS-853c0ffa-21
0.605
MAT-POS-853c0ffa-14
0.603
PET-UNK-df7eb4e6-3
0.600
PET-UNK-df7eb4e6-7
0.600
ALP-POS-ecbed2ba-6
0.597
EDJ-MED-accc2c4d-3
0.590
ALP-POS-ecbed2ba-3
0.590
MAT-POS-853c0ffa-20
0.586
MAT-POS-853c0ffa-12
0.585
ALP-POS-ecbed2ba-22
0.583
VLA-UNK-61877630-8
0.583
VLA-UNK-e334495f-2
0.583
EDJ-MED-accc2c4d-1
0.581
PET-UNK-94036022-3
0.577
PET-UNK-94036022-10
0.577
EDJ-MED-5cd3920d-5
0.571
EDJ-MED-b6c6ee2b-5
0.568
MAT-POS-38eb6498-4
0.568
ALP-POS-ecbed2ba-1
0.567
ALP-POS-ecbed2ba-13
0.567
PET-UNK-143b31ee-1
0.566
PET-UNK-143b31ee-4
0.566
EDJ-MED-3707c4bc-1
0.565
EDJ-MED-4138fde9-3
0.564
EDJ-MED-d4864bdc-4
0.559
VLA-UNK-61877630-10
0.559
EDJ-MED-705e09b8-2
0.559
EDJ-MED-5cd3920d-6
0.559
LUO-POS-e1dab717-8
0.555
MAT-POS-853c0ffa-8
0.555
EDJ-MED-3707c4bc-2
0.552
MAT-POS-853c0ffa-18
0.551
ALP-POS-ecbed2ba-17
0.547
EDJ-MED-4138fde9-8
0.543
EDJ-MED-accc2c4d-4
0.540
MAT-POS-853c0ffa-22
0.538
LUO-POS-ed2cfb03-2
0.537
ALP-POS-ecbed2ba-5
0.535
MAT-POS-853c0ffa-16
0.534
MAT-POS-853c0ffa-7
0.531