Molecule Details
| Molecular Properties | |
| SMILES: | COC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CC1 |
| MW: | 511.13 |
| Fraction sp3: | 0.38 |
| HBA: | 5 |
| HBD: | 0 |
| Rotatable Bonds: | 5 |
| TPSA: | 79.81 |
| cLogP: | 3.89 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.356360969805611 |
| Order Status | |
| Ordered: | 2021-11-07 |
| Synthesis Location: | enamine |
| Shipped: | 2021-12-13 |
Hetero_hetero
ALP-POS-ecbed2ba-3
0.816
PET-UNK-94036022-3
0.798
PET-UNK-94036022-10
0.798
PET-UNK-94036022-9
0.782
PET-UNK-94036022-2
0.782
ALP-POS-ecbed2ba-1
0.777
ALP-POS-ecbed2ba-4
0.775
EDJ-MED-8bb691af-6
0.775
MIK-ENA-5d9157e9-2
0.775
MIK-ENA-5d9157e9-1
0.775
MAT-POS-853c0ffa-14
0.771
EDJ-MED-5cd3920d-5
0.767
VLA-UNK-61877630-10
0.767
EDJ-MED-5cd3920d-6
0.767
EDJ-MED-3707c4bc-2
0.762
EDJ-MED-3707c4bc-1
0.762
ALP-POS-ecbed2ba-8
0.760
MAT-POS-853c0ffa-16
0.757
EDJ-MED-4138fde9-7
0.755
ALP-POS-ecbed2ba-22
0.745
ALP-POS-ecbed2ba-15
0.745
EDJ-MED-accc2c4d-3
0.745
MAT-POS-853c0ffa-12
0.743
EDJ-MED-7587a9ee-3
0.735
EDJ-MED-4138fde9-8
0.731
EDJ-MED-accc2c4d-1
0.731
MAT-POS-853c0ffa-10
0.728
ALP-POS-ecbed2ba-13
0.726
MAT-POS-853c0ffa-8
0.726
MAT-POS-853c0ffa-7
0.726
ALP-POS-ecbed2ba-11
0.718
ALP-POS-ecbed2ba-5
0.717
LUO-POS-ed2cfb03-2
0.713
ALP-POS-ecbed2ba-2
0.712
EDJ-MED-4138fde9-9
0.710
ALP-POS-ecbed2ba-20
0.703
ALP-POS-ecbed2ba-10
0.698
ALP-POS-ecbed2ba-18
0.695
ALP-POS-ecbed2ba-21
0.688
LUO-POS-ed2cfb03-1
0.686
ALP-POS-ecbed2ba-19
0.676
ALP-POS-ecbed2ba-17
0.670
EDJ-MED-accc2c4d-4
0.664
ALP-POS-133e7cd9-2
0.658
ALP-POS-ecbed2ba-16
0.652
EDJ-MED-9f4ac58c-6
0.649
EDJ-MED-accc2c4d-2
0.645
ALP-POS-ecbed2ba-9
0.645
EDJ-MED-33064c06-16
0.643
MAT-POS-e75f6e44-10
0.643
MAT-POS-853c0ffa-21
0.634
MAT-POS-853c0ffa-22
0.628
EDJ-MED-40e596c8-1
0.624
EDJ-MED-7587a9ee-2
0.623
LUO-POS-e1dab717-19
0.623
EDJ-MED-b6c6ee2b-4
0.622
EDJ-MED-b6c6ee2b-3
0.615
MIK-ENA-60569a44-1
0.615
MIK-ENA-bb7b6957-1
0.615
MAT-POS-853c0ffa-20
0.612
MAT-POS-853c0ffa-19
0.612
LUO-POS-868e8996-11
0.611
MAT-POS-c7726e07-5
0.611
LUO-POS-868e8996-12
0.611
MAT-POS-c7726e07-6
0.611
EDJ-MED-8bb691af-4
0.611
MAT-POS-576f7758-1
0.609
MAT-POS-566864e2-3
0.609
MAT-POS-69786b79-1
0.609
LUO-POS-e1dab717-1
0.609
MAT-POS-566864e2-4
0.609
ALP-POS-ecbed2ba-7
0.609
VLA-UNK-61877630-8
0.609
VLA-UNK-e334495f-2
0.609
VLA-UNK-3bd6fc51-1
0.602
ALP-POS-c3a90b22-7
0.602
MAT-POS-853c0ffa-17
0.602
MAT-POS-853c0ffa-18
0.602
MIK-ENA-8063e9dc-1
0.597
MAT-POS-38eb6498-1
0.597
LUO-POS-8484f2d3-1
0.597
MIK-ENA-7066949b-1
0.597
MAT-POS-853c0ffa-9
0.597
LUO-POS-8484f2d3-2
0.597
EDJ-MED-40e596c8-2
0.596
MAT-POS-853c0ffa-13
0.595
MAT-POS-853c0ffa-15
0.593
ALP-POS-ecbed2ba-14
0.593
MAT-POS-40ad851a-4
0.592
ALP-POS-c3a90b22-6
0.589
EDJ-MED-5cd3920d-2
0.588
EDJ-MED-6b23330e-1
0.588
EDJ-MED-cc48ee33-3
0.584
ALP-POS-c3a90b22-2
0.584
MAT-POS-69786b79-3
0.584
MAT-POS-853c0ffa-11
0.583
MAT-POS-e75f6e44-7
0.583
MAT-POS-38eb6498-2
0.582
MAT-POS-1a788f51-2
0.581
EDJ-MED-ee81482e-2
0.581