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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
87
Total Number of Articles : 144
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| PubChem |
5278396
|
| Molecular Formula |
C21H17NO3S2 |
| SMILES |
C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4 |
| InChI |
InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 |
| synonyms |
- 587871-26-9
- KU-55933
- 2-Morpholino-6-(thianthren-1-yl)-4H-pyran-4-one
- KU55933
- ATM Kinase Inhibitor
- KU 55933
- 2-Morpholin-4-yl-6-thianthren-1-yl-pyran-4-one
- 2-Morpholin-4-yl-6-thianthren-1-ylpyran-4-one
- KU-55933 (ATM Kinase Inhibitor)
- CHEMBL222102
- O549494L5D
- 2-Thianthren-1-yl-6-(morpholin-4-yl)-4H-pyran-4-one
- KU-0064
- 2-(morpholin-4-yl)-6-(thianthren-1-yl)pyran-4-one
- UNII-O549494L5D
- ATM Kinase
- KU 55933; ATM Kinase Inhibitor; 2-Thianthren-1-yl-6-(morpholin-4-yl)-4H-pyran-4-one
- 2-(4-Morpholinyl)-6-(1-thianthrenyl)-4H-pyran-4-one
- 2-morpholino-6-thianthren-1-yl-pyran-4-one
- GTPL5928
- SCHEMBL1984941
- YSCH0305
- CHEBI:91372
- 4H-Pyran-4-one, 2-(4-morpholinyl)-6-(1-thianthrenyl)-
- DTXSID40207516
- EX-A074
- XRKYMMUGXMWDAO-UHFFFAOYSA-N
- BCPP000192
- GLXC-04279
- HMS3229A06
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|
| Properties |
| Property |
Value |
| MW |
395.5 g/mol |
| HBD |
0 |
| HBA |
6 |
| Rotatable Bond Count |
2 |
| Exact Mass |
395.06498575 g/mol |
| Monoisotopic Mass |
395.06498575 g/mol |
| Heavy Atom Count |
27 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
643 |
| xlogp |
3.9 |
| Topological Polar Surface Area |
89.4 |
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