Molecule Details
| Molecular Properties | |
| SMILES: | COC1CN(S(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)C1 |
| MW: | 512.13 |
| Fraction sp3: | 0.36 |
| HBA: | 5 |
| HBD: | 0 |
| Rotatable Bonds: | 4 |
| TPSA: | 83.05 |
| cLogP: | 2.95 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.223774225934084 |
| Order Status | |
| Ordered: | 2021-11-07 |
| Synthesis Location: | enamine |
| Shipped: | 2022-01-12 |
Hetero_hetero
ALP-POS-ecbed2ba-9
0.790
ALP-POS-ecbed2ba-20
0.789
LUO-POS-ed2cfb03-1
0.768
EDJ-MED-7587a9ee-3
0.750
LUO-POS-ed2cfb03-2
0.727
ALP-POS-ecbed2ba-18
0.709
ALP-POS-ecbed2ba-6
0.698
ALP-POS-ecbed2ba-3
0.692
EDJ-MED-accc2c4d-4
0.692
EDJ-MED-3707c4bc-1
0.692
EDJ-MED-3707c4bc-2
0.692
ALP-POS-ecbed2ba-21
0.685
EDJ-MED-4138fde9-8
0.679
EDJ-MED-accc2c4d-1
0.679
PET-UNK-94036022-3
0.676
PET-UNK-94036022-10
0.676
EDJ-MED-accc2c4d-3
0.676
ALP-POS-ecbed2ba-19
0.673
EDJ-MED-5cd3920d-5
0.667
VLA-UNK-61877630-10
0.667
ALP-POS-ecbed2ba-5
0.667
ALP-POS-ecbed2ba-17
0.667
EDJ-MED-5cd3920d-6
0.667
ALP-POS-ecbed2ba-16
0.664
ALP-POS-ecbed2ba-22
0.664
PET-UNK-94036022-2
0.664
PET-UNK-94036022-9
0.664
ALP-POS-ecbed2ba-1
0.661
EDJ-MED-4138fde9-9
0.661
ALP-POS-ecbed2ba-13
0.661
ALP-POS-ecbed2ba-4
0.657
EDJ-MED-8bb691af-6
0.657
EDJ-MED-accc2c4d-2
0.657
MIK-ENA-5d9157e9-1
0.657
MIK-ENA-5d9157e9-2
0.657
EDJ-MED-40e596c8-1
0.651
ALP-POS-ecbed2ba-8
0.645
EDJ-MED-4138fde9-7
0.643
EDJ-MED-7587a9ee-2
0.635
LUO-POS-e1dab717-19
0.635
ALP-POS-ecbed2ba-15
0.634
VLA-UNK-3bd6fc51-1
0.629
LUO-POS-868e8996-11
0.623
MAT-POS-c7726e07-5
0.623
LUO-POS-868e8996-12
0.623
EDJ-MED-8bb691af-4
0.623
MAT-POS-c7726e07-6
0.623
EDJ-MED-40e596c8-2
0.622
ALP-POS-ecbed2ba-12
0.618
MAT-POS-566864e2-1
0.618
MAT-POS-566864e2-2
0.618
ALP-POS-c3a90b22-6
0.615
ALP-POS-ecbed2ba-11
0.612
ALP-POS-ecbed2ba-2
0.607
MAT-POS-566864e2-3
0.606
MAT-POS-69786b79-1
0.606
LUO-POS-e1dab717-1
0.606
MAT-POS-576f7758-1
0.606
MAT-POS-566864e2-4
0.606
ALP-POS-ecbed2ba-7
0.606
ALP-POS-ecbed2ba-14
0.604
EDJ-MED-6b23330e-6
0.602
ALP-POS-c3a90b22-7
0.598
MAT-POS-e75f6e44-10
0.596
EDJ-MED-33064c06-16
0.596
MAT-POS-69786b79-3
0.595
MAT-POS-e75f6e44-5
0.589
MIK-ENA-1494235a-1
0.589
MIK-ENA-4ed700b1-1
0.589
BRU-THA-ae0174a8-1
0.589
MAT-POS-69786b79-2
0.589
MIK-ENA-4a1c9a78-1
0.589
MAT-POS-e75f6e44-13
0.588
MAT-POS-e75f6e44-16
0.586
EDJ-MED-6b23330e-5
0.584
EDJ-MED-6b23330e-1
0.584
EDJ-MED-6b23330e-2
0.584
EDJ-MED-6b23330e-7
0.584
MAT-POS-e75f6e44-2
0.584
MAT-POS-e75f6e44-4
0.584
EDJ-MED-40e596c8-3
0.583
MIK-ENA-9eb8d9fb-1
0.581
EDJ-MED-cc48ee33-3
0.580
ALP-POS-c3a90b22-2
0.580
MAT-POS-e75f6e44-7
0.579
EDJ-MED-6b23330e-4
0.579
MAT-POS-e75f6e44-18
0.578
EDJ-MED-59d5ca70-2
0.578
MAT-POS-e75f6e44-1
0.575
EDJ-MED-cc48ee33-4
0.575
MAT-POS-e75f6e44-15
0.574
MAT-POS-e75f6e44-6
0.574
MAT-POS-e75f6e44-19
0.574
MAT-POS-e75f6e44-8
0.573
MAT-POS-e75f6e44-9
0.573
MAT-POS-e75f6e44-21
0.573
MAT-POS-e75f6e44-3
0.570
PET-UNK-7e9559de-4
0.570
MAT-POS-96396902-1
0.570
PET-UNK-7e9559de-1
0.570