Molecule Details
| Molecular Properties | |
| SMILES: | CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CS(=O)(=O)C1 |
| MW: | 559.1 |
| Fraction sp3: | 0.38 |
| HBA: | 6 |
| HBD: | 0 |
| Rotatable Bonds: | 4 |
| TPSA: | 104.72 |
| cLogP: | 3.14 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.143631362485729 |
| Order Status | |
| Ordered: | 2021-11-07 |
| Synthesis Location: | enamine |
| Shipped: | 2022-01-12 |
Oxetanes, thietanes
Hetero_hetero
ALP-POS-ecbed2ba-3
0.865
PET-UNK-94036022-3
0.790
PET-UNK-94036022-10
0.790
ALP-POS-ecbed2ba-6
0.777
PET-UNK-94036022-2
0.775
PET-UNK-94036022-9
0.775
EDJ-MED-8bb691af-6
0.767
MIK-ENA-5d9157e9-1
0.767
ALP-POS-ecbed2ba-4
0.767
MIK-ENA-5d9157e9-2
0.767
EDJ-MED-4138fde9-7
0.764
EDJ-MED-5cd3920d-6
0.760
EDJ-MED-5cd3920d-5
0.760
VLA-UNK-61877630-10
0.760
ALP-POS-ecbed2ba-5
0.760
EDJ-MED-3707c4bc-1
0.755
EDJ-MED-3707c4bc-2
0.755
ALP-POS-ecbed2ba-8
0.752
ALP-POS-ecbed2ba-2
0.752
ALP-POS-ecbed2ba-15
0.738
ALP-POS-ecbed2ba-22
0.738
EDJ-MED-accc2c4d-3
0.738
ALP-POS-ecbed2ba-11
0.727
EDJ-MED-7587a9ee-3
0.727
EDJ-MED-4138fde9-8
0.724
EDJ-MED-accc2c4d-1
0.724
EDJ-MED-4138fde9-9
0.720
ALP-POS-ecbed2ba-13
0.720
LUO-POS-ed2cfb03-2
0.706
ALP-POS-ecbed2ba-20
0.696
LUO-POS-ed2cfb03-1
0.695
ALP-POS-ecbed2ba-18
0.689
EDJ-MED-accc2c4d-4
0.673
MAT-POS-853c0ffa-21
0.673
ALP-POS-ecbed2ba-19
0.670
MAT-POS-853c0ffa-22
0.667
ALP-POS-ecbed2ba-17
0.664
ALP-POS-ecbed2ba-10
0.661
ALP-POS-ecbed2ba-21
0.652
ALP-POS-133e7cd9-2
0.652
MAT-POS-853c0ffa-20
0.649
ALP-POS-ecbed2ba-16
0.646
ALP-POS-ecbed2ba-9
0.640
EDJ-MED-accc2c4d-2
0.640
MAT-POS-853c0ffa-17
0.640
MAT-POS-853c0ffa-18
0.625
EDJ-MED-cc48ee33-3
0.622
MAT-POS-853c0ffa-19
0.620
EDJ-MED-40e596c8-1
0.618
LUO-POS-e1dab717-19
0.617
EDJ-MED-7587a9ee-2
0.617
EDJ-MED-b6c6ee2b-4
0.616
EDJ-MED-8bb691af-4
0.606
LUO-POS-868e8996-11
0.606
MAT-POS-c7726e07-5
0.606
LUO-POS-868e8996-12
0.606
MAT-POS-c7726e07-6
0.606
MAT-POS-566864e2-4
0.604
MAT-POS-69786b79-1
0.604
LUO-POS-e1dab717-1
0.604
ALP-POS-ecbed2ba-7
0.604
MAT-POS-576f7758-1
0.604
MAT-POS-566864e2-3
0.604
VLA-UNK-e334495f-2
0.603
MAT-POS-be048f2c-5
0.603
VLA-UNK-61877630-8
0.603
MAT-POS-853c0ffa-14
0.598
ALP-POS-c3a90b22-6
0.598
MAT-POS-e75f6e44-4
0.596
ALP-POS-c3a90b22-7
0.596
EDJ-MED-6b23330e-5
0.596
VLA-UNK-3bd6fc51-1
0.596
MAT-POS-69786b79-3
0.593
EDJ-MED-cc48ee33-5
0.591
MAT-POS-38eb6498-2
0.590
MAT-POS-853c0ffa-13
0.590
MAT-POS-853c0ffa-15
0.588
MAT-POS-853c0ffa-16
0.588
EDJ-MED-cc48ee33-4
0.588
MAT-POS-e75f6e44-19
0.586
MAT-POS-be048f2c-8
0.585
EDJ-MED-5cd3920d-2
0.583
EDJ-MED-b6c6ee2b-3
0.583
MIK-ENA-60569a44-1
0.583
MIK-ENA-bb7b6957-1
0.583
EDJ-MED-6b23330e-1
0.583
ALP-POS-c3a90b22-2
0.579
MAT-POS-853c0ffa-11
0.579
MAT-POS-853c0ffa-12
0.579
EDJ-MED-40e596c8-2
0.578
MAT-POS-e75f6e44-7
0.578
MAT-POS-be048f2c-6
0.576
MAT-POS-be048f2c-7
0.576
MAT-POS-e75f6e44-20
0.576
EDJ-MED-ee81482e-2
0.576
MIK-ENA-1494235a-1
0.574
MIK-ENA-4ed700b1-1
0.574
ALP-POS-ecbed2ba-14
0.574
MAT-POS-69786b79-2
0.574
MIK-ENA-4a1c9a78-1
0.574