Molecule Details
| Molecular Properties | |
| SMILES: | O=C1N(c2cncc3ccccc23)CCC12CN(S(=O)(=O)CC1CS(=O)(=O)C1)Cc1ccc(Cl)cc12 |
| MW: | 545.08 |
| Fraction sp3: | 0.36 |
| HBA: | 6 |
| HBD: | 0 |
| Rotatable Bonds: | 4 |
| TPSA: | 104.72 |
| cLogP: | 2.75 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.352547783003054 |
| Order Status | |
| Ordered: | 2021-11-07 |
| Synthesis Location: | enamine |
| Shipped: | 2021-12-13 |
Oxetanes, thietanes
Hetero_hetero
EDJ-MED-4138fde9-8
0.837
EDJ-MED-4138fde9-9
0.812
EDJ-MED-accc2c4d-3
0.762
EDJ-MED-3707c4bc-2
0.762
ALP-POS-ecbed2ba-1
0.760
PET-UNK-94036022-9
0.748
PET-UNK-94036022-2
0.748
EDJ-MED-accc2c4d-1
0.748
ALP-POS-ecbed2ba-3
0.745
PET-UNK-94036022-3
0.745
PET-UNK-94036022-10
0.745
EDJ-MED-3707c4bc-1
0.745
ALP-POS-ecbed2ba-4
0.740
MIK-ENA-5d9157e9-1
0.740
EDJ-MED-8bb691af-6
0.740
MIK-ENA-5d9157e9-2
0.740
ALP-POS-ecbed2ba-2
0.727
ALP-POS-ecbed2ba-8
0.726
ALP-POS-ecbed2ba-13
0.726
EDJ-MED-4138fde9-7
0.722
EDJ-MED-7587a9ee-3
0.717
VLA-UNK-61877630-10
0.717
ALP-POS-ecbed2ba-6
0.717
EDJ-MED-5cd3920d-5
0.717
EDJ-MED-5cd3920d-6
0.717
ALP-POS-ecbed2ba-15
0.713
ALP-POS-ecbed2ba-22
0.713
ALP-POS-ecbed2ba-20
0.703
LUO-POS-ed2cfb03-2
0.696
ALP-POS-ecbed2ba-11
0.688
LUO-POS-ed2cfb03-1
0.686
EDJ-MED-accc2c4d-4
0.679
ALP-POS-ecbed2ba-18
0.679
ALP-POS-ecbed2ba-9
0.676
ALP-POS-ecbed2ba-17
0.670
ALP-POS-ecbed2ba-10
0.667
ALP-POS-ecbed2ba-19
0.661
EDJ-MED-accc2c4d-2
0.661
ALP-POS-ecbed2ba-16
0.652
ALP-POS-ecbed2ba-21
0.643
ALP-POS-133e7cd9-2
0.643
MAT-POS-e75f6e44-20
0.637
EDJ-MED-7587a9ee-2
0.623
LUO-POS-e1dab717-19
0.623
VLA-UNK-3bd6fc51-1
0.617
ALP-POS-c3a90b22-7
0.616
EDJ-MED-40e596c8-2
0.611
EDJ-MED-40e596c8-1
0.609
MAT-POS-69786b79-2
0.607
LUO-POS-868e8996-12
0.596
EDJ-MED-8bb691af-4
0.596
LUO-POS-868e8996-11
0.596
MAT-POS-c7726e07-5
0.596
MAT-POS-c7726e07-6
0.596
ALP-POS-ecbed2ba-7
0.595
MAT-POS-69786b79-1
0.595
MAT-POS-576f7758-1
0.595
LUO-POS-e1dab717-1
0.595
MAT-POS-566864e2-3
0.595
MAT-POS-566864e2-4
0.595
ALP-POS-ecbed2ba-12
0.593
EDJ-MED-b6c6ee2b-4
0.593
MAT-POS-566864e2-1
0.593
MAT-POS-566864e2-2
0.593
ALP-POS-c3a90b22-6
0.589
MAT-POS-69786b79-3
0.584
VLA-UNK-61877630-8
0.581
VLA-UNK-e334495f-2
0.581
EDJ-MED-59d5ca70-2
0.581
ALP-POS-ecbed2ba-14
0.579
MAT-POS-853c0ffa-21
0.578
MAT-POS-e75f6e44-13
0.578
MAT-POS-e75f6e44-16
0.576
EDJ-MED-6b23330e-1
0.574
MAT-POS-e75f6e44-4
0.574
EDJ-MED-6b23330e-5
0.574
MAT-POS-853c0ffa-22
0.573
EDJ-MED-40e596c8-3
0.573
MAT-POS-e75f6e44-14
0.573
ALP-POS-c3a90b22-2
0.570
MAT-POS-e75f6e44-7
0.569
EDJ-MED-ee81482e-2
0.568
MAT-POS-853c0ffa-13
0.568
MAT-POS-e75f6e44-18
0.568
MIK-ENA-1494235a-1
0.565
MIK-ENA-4ed700b1-1
0.565
BRU-THA-ae0174a8-1
0.565
MIK-ENA-4a1c9a78-1
0.565
MAT-POS-e75f6e44-1
0.565
MAT-POS-e75f6e44-5
0.565
EDJ-MED-ee81482e-1
0.565
EDJ-MED-6b23330e-6
0.564
MAT-POS-69786b79-4
0.564
MAT-POS-e75f6e44-19
0.564
MAT-POS-e75f6e44-21
0.563
EDJ-MED-6b23330e-7
0.560
PET-UNK-7e9559de-1
0.560
PET-UNK-7e9559de-4
0.560
MAT-POS-96396902-1
0.560
EDJ-MED-6b23330e-2
0.560