Molecule Details
| Molecular Properties | |
| SMILES: | O=C1N(c2cncc3ccccc23)CCC12CN(S(=O)(=O)CC1(C(F)F)CC1)Cc1ccc(Cl)cc12 |
| MW: | 531.12 |
| Fraction sp3: | 0.38 |
| HBA: | 4 |
| HBD: | 0 |
| Rotatable Bonds: | 5 |
| TPSA: | 70.58 |
| cLogP: | 4.75 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.15535120394062 |
| Order Status | |
| Ordered: | 2021-12-21 |
| Synthesis Location: | moonshot |
| Shipped: | 2022-01-18 |
Hetero_hetero
ALP-POS-ecbed2ba-3
0.798
PET-UNK-94036022-3
0.798
PET-UNK-94036022-10
0.798
VLA-UNK-61877630-10
0.784
EDJ-MED-5cd3920d-6
0.784
PET-UNK-94036022-9
0.782
PET-UNK-94036022-2
0.782
ALP-POS-ecbed2ba-4
0.775
MIK-ENA-5d9157e9-1
0.775
EDJ-MED-8bb691af-6
0.775
MIK-ENA-5d9157e9-2
0.775
ALP-POS-ecbed2ba-6
0.767
EDJ-MED-3707c4bc-1
0.762
ALP-POS-ecbed2ba-8
0.760
ALP-POS-ecbed2ba-1
0.760
ALP-POS-ecbed2ba-15
0.745
ALP-POS-ecbed2ba-22
0.745
EDJ-MED-accc2c4d-3
0.745
EDJ-MED-3707c4bc-2
0.745
EDJ-MED-4138fde9-7
0.738
EDJ-MED-7587a9ee-3
0.735
EDJ-MED-4138fde9-8
0.731
EDJ-MED-accc2c4d-1
0.731
ALP-POS-ecbed2ba-11
0.718
ALP-POS-ecbed2ba-5
0.717
LUO-POS-ed2cfb03-2
0.713
ALP-POS-ecbed2ba-2
0.712
ALP-POS-ecbed2ba-13
0.710
EDJ-MED-4138fde9-9
0.710
ALP-POS-ecbed2ba-20
0.703
ALP-POS-ecbed2ba-18
0.679
LUO-POS-ed2cfb03-1
0.670
ALP-POS-ecbed2ba-10
0.667
EDJ-MED-accc2c4d-4
0.664
ALP-POS-ecbed2ba-19
0.661
ALP-POS-ecbed2ba-9
0.661
ALP-POS-133e7cd9-2
0.658
ALP-POS-ecbed2ba-17
0.655
EDJ-MED-accc2c4d-2
0.645
ALP-POS-ecbed2ba-21
0.643
ALP-POS-ecbed2ba-16
0.637
EDJ-MED-b6c6ee2b-4
0.636
MAT-POS-853c0ffa-21
0.634
EDJ-MED-5cd3920d-2
0.629
EDJ-MED-40e596c8-1
0.624
VLA-UNK-61877630-8
0.623
VLA-UNK-e334495f-2
0.623
EDJ-MED-7587a9ee-2
0.623
LUO-POS-e1dab717-19
0.623
VLA-UNK-3bd6fc51-1
0.617
MAT-POS-853c0ffa-22
0.614
MAT-POS-853c0ffa-13
0.609
MAT-POS-853c0ffa-14
0.603
ALP-POS-c3a90b22-7
0.602
EDJ-MED-5cd3920d-1
0.600
MAT-POS-853c0ffa-20
0.598
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
BRU-THA-ae0174a8-1
0.593
EDJ-MED-6b23330e-1
0.588
MAT-POS-853c0ffa-18
0.588
MAT-POS-e75f6e44-2
0.588
VLA-UNK-61877630-7
0.586
VLA-UNK-e334495f-1
0.586
MAT-POS-853c0ffa-19
0.585
MAT-POS-69786b79-3
0.584
EDJ-MED-40e596c8-2
0.583
MAT-POS-853c0ffa-15
0.580
MAT-POS-853c0ffa-16
0.580
MAT-POS-69786b79-2
0.579
EDJ-MED-6b23330e-6
0.578
MAT-POS-e75f6e44-15
0.578
MAT-POS-853c0ffa-10
0.576
ALP-POS-c3a90b22-6
0.575
MIK-ENA-bb7b6957-1
0.575
EDJ-MED-b6c6ee2b-3
0.575
MIK-ENA-60569a44-1
0.575
EDJ-MED-6b23330e-7
0.574
PET-UNK-7e9559de-1
0.574
PET-UNK-7e9559de-4
0.574
MAT-POS-96396902-1
0.574
MAT-POS-853c0ffa-17
0.574
EDJ-MED-6b23330e-2
0.574
MAT-POS-e75f6e44-3
0.574
LUO-POS-8484f2d3-1
0.571
MAT-POS-853c0ffa-9
0.571
MAT-POS-38eb6498-1
0.571
MIK-ENA-8063e9dc-1
0.571
LUO-POS-8484f2d3-2
0.571
MIK-ENA-7066949b-1
0.571
MAT-POS-853c0ffa-12
0.570