Molecule Details
| Molecular Properties | |
| SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccc(OCCCN6CCCC6)cc45)C3=O)C2)CC1 |
| MW: | 633.22 |
| Fraction sp3: | 0.48 |
| HBA: | 7 |
| HBD: | 0 |
| Rotatable Bonds: | 9 |
| TPSA: | 106.84 |
| cLogP: | 4.88 |
| 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
EDJ-MED-468565e0-1
0.896
MAT-POS-40ad851a-4
0.832
EDJ-MED-468565e0-4
0.826
MAT-POS-1a788f51-1
0.821
EDJ-MED-468565e0-5
0.817
MAT-POS-1a788f51-2
0.807
EDJ-MED-4138fde9-1
0.800
EDJ-MED-468565e0-2
0.798
LUO-POS-8484f2d3-1
0.793
MAT-POS-853c0ffa-9
0.793
MAT-POS-38eb6498-1
0.793
MIK-ENA-8063e9dc-1
0.793
LUO-POS-8484f2d3-2
0.793
MIK-ENA-7066949b-1
0.793
EDJ-MED-468565e0-3
0.792
MAT-POS-1a788f51-3
0.789
MAT-POS-40ad851a-3
0.780
MAT-POS-40ad851a-2
0.774
MAT-POS-1a788f51-4
0.768
MIK-ENA-bb7b6957-1
0.763
EDJ-MED-b6c6ee2b-3
0.763
MIK-ENA-60569a44-1
0.763
EDJ-MED-4138fde9-2
0.750
MAT-POS-40ad851a-1
0.744
EDJ-MED-5cd3920d-1
0.744
EDJ-MED-ee81482e-3
0.734
EDJ-MED-ee81482e-2
0.734
EDJ-MED-ee81482e-1
0.732
EDJ-MED-b6c6ee2b-4
0.730
LUO-POS-d1147590-1
0.717
MAT-POS-853c0ffa-13
0.700
EDJ-MED-ee81482e-4
0.698
EDJ-MED-5cd3920d-2
0.691
MAT-POS-853c0ffa-11
0.672
MAT-POS-853c0ffa-19
0.672
MIK-ENA-5d9157e9-1
0.667
EDJ-MED-8bb691af-6
0.667
MIK-ENA-5d9157e9-2
0.667
ALP-POS-ecbed2ba-4
0.667
MAT-POS-853c0ffa-10
0.662
MAT-POS-38eb6498-2
0.656
ALP-POS-ecbed2ba-8
0.642
EDJ-MED-ee81482e-5
0.639
ALP-POS-ecbed2ba-15
0.632
MAT-POS-853c0ffa-6
0.621
MAT-POS-1d5ab790-1
0.616
MAT-POS-853c0ffa-5
0.616
ALP-POS-ecbed2ba-2
0.608
PET-UNK-c6bcc80b-4
0.606
PET-UNK-c6bcc80b-11
0.606
MAT-POS-853c0ffa-15
0.605
EDJ-MED-4138fde9-7
0.602
ALP-POS-ecbed2ba-11
0.600
PET-UNK-94036022-9
0.592
PET-UNK-94036022-2
0.592
ALP-POS-133e7cd9-2
0.586
PET-UNK-df7eb4e6-3
0.586
PET-UNK-df7eb4e6-7
0.586
MAT-POS-853c0ffa-21
0.566
MAT-POS-853c0ffa-14
0.565
EDJ-MED-705e09b8-2
0.558
ALP-POS-ecbed2ba-22
0.557
MAT-POS-853c0ffa-20
0.549
MAT-POS-853c0ffa-12
0.548
VLA-UNK-61877630-8
0.545
VLA-UNK-e334495f-2
0.545
EDJ-MED-accc2c4d-1
0.543
PET-UNK-143b31ee-1
0.541
PET-UNK-143b31ee-4
0.541
EDJ-MED-4138fde9-3
0.540
ALP-POS-ecbed2ba-3
0.539
PET-UNK-94036022-3
0.539
PET-UNK-94036022-10
0.539
EDJ-MED-accc2c4d-3
0.539
ALP-POS-ecbed2ba-6
0.534
ALP-POS-ecbed2ba-1
0.530
LUO-POS-e1dab717-7
0.529
EDJ-MED-b6c6ee2b-1
0.525
MAT-POS-38eb6498-3
0.525
VLA-UNK-61877630-10
0.523
EDJ-MED-5cd3920d-5
0.523
EDJ-MED-5cd3920d-6
0.523
ALP-POS-ecbed2ba-13
0.519
MIK-ENA-30ee93be-1
0.517
EDJ-MED-3707c4bc-1
0.515
ALP-POS-c3a90b22-7
0.515
LUO-POS-e1dab717-15
0.511
MAT-POS-853c0ffa-8
0.507
EDJ-MED-accc2c4d-4
0.504
EDJ-MED-3707c4bc-2
0.504
MAT-POS-853c0ffa-18
0.504
EDJ-MED-4138fde9-4
0.503
MAT-POS-1bed62cf-1
0.500
LUO-POS-868e8996-9
0.500
LUO-POS-868e8996-10
0.500
ALP-POS-ecbed2ba-5
0.500
MAT-POS-853c0ffa-7
0.496
EDJ-MED-4138fde9-8
0.496
MIK-ENA-26b331e0-1
0.493
EDJ-MED-dfa1d800-1
0.493