General Information of the Compound
| Compound ID |
CP0016003
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| Compound Name |
2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one
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| Synonyms |
2-(4-Morpholinyl)-6-(1-thianthrenyl)-4H-pyran-4-one
2-Morpholin-4-yl-6-thianthren-1-yl-pyran-4-one
2-Morpholin-4-yl-6-thianthren-1-ylpyran-4-one
2-Morpholino-6-(thianthren-1-yl)-4H-pyran-4-one
2-morpholino-6-thianthren-1-yl-pyran-4-one
4H-Pyran-4-one, 2-(4-morpholinyl)-6-(1-thianthrenyl)-
587871-26-9
AC1NQSSP
ATM Kinase Inhibitor
CHEMBL222102
GTPL5928
KU 55933
KU-55933
KU-55933 (ATM Kinase Inhibitor)
KU55933
O549494L5D
PubChem22474
SCHEMBL1984941
UNII-O549494L5D
cc-73
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| Structure |
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| Formula |
C21H17NO3S2
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| Molecular Weight |
395.505
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| Canonical SMILES |
O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1
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| 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
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| InChIKey |
XRKYMMUGXMWDAO-UHFFFAOYSA-N
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| CAS |
587871-26-9
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR
Clinical Information about the Compound