Molecular Properties | |
SMILES: | CN1CCC(Oc2ccc3cncc(N4CCC5(CN(S(=O)(=O)CC6(C#N)CC6)Cc6ccc(Cl)cc65)C4=O)c3c2)CC1 |
MW: | 619.2 |
Fraction sp3: | 0.47 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 106.84 |
cLogP: | 4.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-12-21 |
Synthesis Location: | moonshot |
Shipped: | synthesis in progress |
Hetero_hetero
EDJ-MED-ee81482e-4
EDJ-MED-ee81482e-2
0.868
EDJ-MED-ee81482e-4
0.839
EDJ-MED-ee81482e-1
0.835
MIK-ENA-bb7b6957-1
0.791
EDJ-MED-b6c6ee2b-3
0.791
MIK-ENA-60569a44-1
0.791
EDJ-MED-5cd3920d-1
0.756
EDJ-MED-4138fde9-1
0.754
MAT-POS-1a788f51-2
0.746
MAT-POS-1a788f51-3
0.744
MAT-POS-1a788f51-1
0.744
EDJ-MED-b6c6ee2b-4
0.743
MAT-POS-40ad851a-1
0.742
LUO-POS-8484f2d3-1
0.734
MAT-POS-853c0ffa-9
0.734
MAT-POS-38eb6498-1
0.734
MIK-ENA-8063e9dc-1
0.734
LUO-POS-8484f2d3-2
0.734
MIK-ENA-7066949b-1
0.734
EDJ-MED-468565e0-1
0.728
MAT-POS-40ad851a-4
0.728
EDJ-MED-468565e0-5
0.728
MAT-POS-1a788f51-4
0.724
MAT-POS-40ad851a-3
0.722
EDJ-MED-ee81482e-3
0.719
MAT-POS-40ad851a-5
0.717
MAT-POS-40ad851a-2
0.717
MAT-POS-853c0ffa-13
0.712
EDJ-MED-468565e0-4
0.711
EDJ-MED-468565e0-3
0.708
EDJ-MED-5cd3920d-2
0.702
EDJ-MED-468565e0-2
0.700
MAT-POS-853c0ffa-11
0.697
EDJ-MED-4138fde9-2
0.695
MIK-ENA-5d9157e9-1
0.692
EDJ-MED-8bb691af-6
0.692
MIK-ENA-5d9157e9-2
0.692
ALP-POS-ecbed2ba-4
0.692
MAT-POS-38eb6498-2
0.680
ALP-POS-ecbed2ba-8
0.653
EDJ-MED-4138fde9-7
0.650
ALP-POS-ecbed2ba-15
0.642
PET-UNK-c6bcc80b-4
0.641
PET-UNK-c6bcc80b-11
0.641
EDJ-MED-ee81482e-5
0.636
ALP-POS-ecbed2ba-2
0.630
MAT-POS-853c0ffa-15
0.627
ALP-POS-ecbed2ba-11
0.622
MAT-POS-853c0ffa-19
0.618
MAT-POS-1d5ab790-1
0.613
MAT-POS-853c0ffa-5
0.613
MAT-POS-853c0ffa-10
0.609
MAT-POS-853c0ffa-6
0.605
PET-UNK-94036022-9
0.602
PET-UNK-94036022-2
0.602
ALP-POS-133e7cd9-2
0.595
PET-UNK-df7eb4e6-3
0.595
PET-UNK-df7eb4e6-7
0.595
MAT-POS-853c0ffa-21
0.587
MAT-POS-853c0ffa-14
0.586
ALP-POS-ecbed2ba-22
0.578
ALP-POS-ecbed2ba-3
0.573
MAT-POS-853c0ffa-20
0.569
MAT-POS-853c0ffa-12
0.568
ALP-POS-ecbed2ba-6
0.567
EDJ-MED-accc2c4d-1
0.563
ALP-POS-ecbed2ba-1
0.562
PET-UNK-143b31ee-1
0.562
PET-UNK-143b31ee-4
0.562
PET-UNK-94036022-3
0.560
PET-UNK-94036022-10
0.560
EDJ-MED-accc2c4d-3
0.560
ALP-POS-ecbed2ba-5
0.555
EDJ-MED-705e09b8-2
0.555
VLA-UNK-61877630-8
0.554
VLA-UNK-e334495f-2
0.554
ALP-POS-ecbed2ba-13
0.550
EDJ-MED-3707c4bc-1
0.548
EDJ-MED-3707c4bc-2
0.548
VLA-UNK-61877630-10
0.543
EDJ-MED-5cd3920d-5
0.543
EDJ-MED-5cd3920d-6
0.543
EDJ-MED-accc2c4d-4
0.535
EDJ-MED-4138fde9-8
0.527
MAT-POS-1bed62cf-1
0.519
LUO-POS-868e8996-9
0.519
LUO-POS-868e8996-10
0.519
EDJ-MED-4138fde9-9
0.515
ALP-POS-c3a90b22-7
0.511
MAT-POS-853c0ffa-22
0.511
VLA-UNK-61877630-7
0.511
VLA-UNK-e334495f-1
0.511
EDJ-MED-7587a9ee-3
0.508
LUO-POS-ed2cfb03-2
0.508
EDJ-MED-b6c6ee2b-2
0.508
ALP-POS-ecbed2ba-17
0.508
LUO-POS-e1dab717-15
0.507
MAT-POS-853c0ffa-16
0.507
LUO-POS-ed2cfb03-1
0.504
MAT-POS-853c0ffa-7
0.504