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Structure
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| Relationships |
Total Number of functionally related protein(s) :
33
Total Number of Articles : 27
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| PubChem |
194391
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| Molecular Formula |
C16H17NO4 |
| SMILES |
CC(=O)OC1CN(C(=O)C=C1)C(=O)CCC2=CC=CC=C2 |
| InChI |
InChI=1S/C16H17NO4/c1-12(18)21-14-8-10-16(20)17(11-14)15(19)9-7-13-5-3-2-4-6-13/h2-6,8,10,14H,7,9,11H2,1H3 |
| synonyms |
- Pipermethystine
- 71627-22-0
- [6-oxo-1-(3-phenylpropanoyl)-2,3-dihydropyridin-3-yl] acetate
- (6-oxo-1-(3-phenylpropanoyl)-2,3-dihydropyridin-3-yl) acetate
- APX8C8S6AW
- 6-oxo-1-(3-phenylpropanoyl)-1,2,3,6-tetrahydropyridin-3-yl acetate
- 2(1H)-Pyridinone, 5-(acetyloxy)-5,6-dihydro-1-(1-oxo-3-phenylpropyl)-
- (+/-)-Pipermethystine
- UNII-APX8C8S6AW
- SCHEMBL6398794
- DTXSID60992199
- CHEBI:157726
- JLNNQCUATONMIT-UHFFFAOYSA-N
- HY-N12158
- AKOS030558657
- DA-76917
- CS-0892554
- Q7197360
- 5-Acetoxy-5,6-dihydro-1-(3-phenylpropanoyl)-2(1H)-pyridone
- 5-(Acetyloxy)-5,6-dihydro-1-(1-oxo-3-phenylpropyl)-2(1H)-pyridinone
- 6-Oxo-1-(3-phenylpropanoyl)-1,2,3,6-tetrahydro-3-pyridinyl acetate #
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| Properties |
| Property |
Value |
| MW |
287.31 g/mol |
| HBD |
0 |
| HBA |
4 |
| Rotatable Bond Count |
5 |
| Exact Mass |
287.11575802 g/mol |
| Monoisotopic Mass |
287.11575802 g/mol |
| Heavy Atom Count |
21 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
1 |
| Covalent Unit Count |
1 |
| Complexity |
438 |
| xlogp |
1.4 |
| Topological Polar Surface Area |
63.7 |
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