Molecule Details
| Molecular Properties | |
| SMILES: | CN(CCO)S(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
| MW: | 500.13 |
| Fraction sp3: | 0.33 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 94.05 |
| cLogP: | 2.55 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.698771352303839 |
| Order Status | |
| Ordered: | 2021-11-07 |
| Synthesis Location: | enamine |
| Shipped: | 2022-01-18 |
Hetero_hetero
ALP-POS-ecbed2ba-18
0.844
ALP-POS-ecbed2ba-21
0.830
ALP-POS-ecbed2ba-16
0.822
ALP-POS-ecbed2ba-17
0.810
EDJ-MED-7587a9ee-3
0.742
LUO-POS-ed2cfb03-2
0.737
ALP-POS-ecbed2ba-20
0.727
PET-UNK-94036022-3
0.702
EDJ-MED-3707c4bc-2
0.702
ALP-POS-ecbed2ba-3
0.702
PET-UNK-94036022-10
0.702
EDJ-MED-3707c4bc-1
0.702
LUO-POS-ed2cfb03-1
0.692
EDJ-MED-accc2c4d-1
0.689
EDJ-MED-accc2c4d-3
0.686
EDJ-MED-4138fde9-9
0.685
ALP-POS-ecbed2ba-6
0.676
EDJ-MED-4138fde9-8
0.673
ALP-POS-ecbed2ba-10
0.673
PET-UNK-94036022-9
0.673
PET-UNK-94036022-2
0.673
EDJ-MED-accc2c4d-4
0.670
ALP-POS-ecbed2ba-1
0.670
ALP-POS-ecbed2ba-13
0.670
ALP-POS-ecbed2ba-4
0.667
EDJ-MED-8bb691af-6
0.667
MIK-ENA-5d9157e9-2
0.667
MIK-ENA-5d9157e9-1
0.667
ALP-POS-ecbed2ba-5
0.661
EDJ-MED-5cd3920d-5
0.661
VLA-UNK-61877630-10
0.661
EDJ-MED-5cd3920d-6
0.661
ALP-POS-ecbed2ba-22
0.658
ALP-POS-ecbed2ba-8
0.655
EDJ-MED-4138fde9-7
0.652
EDJ-MED-accc2c4d-2
0.651
ALP-POS-ecbed2ba-9
0.651
EDJ-MED-7587a9ee-2
0.644
LUO-POS-e1dab717-19
0.644
ALP-POS-ecbed2ba-15
0.643
LUO-POS-868e8996-11
0.632
MAT-POS-c7726e07-5
0.632
LUO-POS-868e8996-12
0.632
MAT-POS-c7726e07-6
0.632
EDJ-MED-8bb691af-4
0.632
EDJ-MED-40e596c8-1
0.630
ALP-POS-ecbed2ba-11
0.621
ALP-POS-ecbed2ba-2
0.615
MAT-POS-576f7758-1
0.615
MAT-POS-566864e2-3
0.615
MAT-POS-69786b79-1
0.615
LUO-POS-e1dab717-1
0.615
MAT-POS-566864e2-4
0.615
ALP-POS-ecbed2ba-7
0.615
ALP-POS-c3a90b22-6
0.609
VLA-UNK-3bd6fc51-1
0.607
MAT-POS-69786b79-3
0.604
EDJ-MED-40e596c8-2
0.602
MAT-POS-e75f6e44-7
0.602
MIK-ENA-1494235a-1
0.598
MIK-ENA-4ed700b1-1
0.598
BRU-THA-ae0174a8-1
0.598
ALP-POS-ecbed2ba-14
0.598
MIK-ENA-4a1c9a78-1
0.598
MAT-POS-e75f6e44-12
0.596
EDJ-MED-6b23330e-5
0.593
MAT-POS-e75f6e44-4
0.593
ALP-POS-c3a90b22-7
0.593
PET-UNK-7e9559de-4
0.593
MAT-POS-96396902-1
0.593
EDJ-MED-6b23330e-1
0.593
EDJ-MED-6b23330e-2
0.593
EDJ-MED-6b23330e-7
0.593
MAT-POS-e75f6e44-2
0.593
PET-UNK-7e9559de-1
0.593
EDJ-MED-cc48ee33-3
0.589
ALP-POS-c3a90b22-2
0.589
EDJ-MED-6b23330e-4
0.588
MAT-POS-566864e2-2
0.584
MAT-POS-566864e2-1
0.584
MAT-POS-e75f6e44-5
0.584
MAT-POS-69786b79-2
0.584
EDJ-MED-cc48ee33-4
0.584
ALP-POS-ecbed2ba-12
0.584
MAT-POS-e75f6e44-1
0.584
MAT-POS-e75f6e44-15
0.583
EDJ-MED-6b23330e-6
0.583
MAT-POS-e75f6e44-6
0.583
MAT-POS-e75f6e44-19
0.583
MAT-POS-e75f6e44-3
0.579
ALP-POS-133e7cd9-2
0.578
EDJ-MED-33064c06-16
0.578
MAT-POS-e75f6e44-10
0.578
EDJ-MED-cc48ee33-5
0.574
ALP-POS-c3a90b22-4
0.574
MAT-POS-e75f6e44-17
0.574
MAT-POS-be048f2c-5
0.573
MAT-POS-69786b79-4
0.569
MAT-POS-e75f6e44-13
0.569
MAT-POS-e75f6e44-8
0.568