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Structure
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| Relationships |
Total Number of functionally related protein(s) :
106
Total Number of Articles : 109
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| PubChem |
123964
|
| Molecular Formula |
C17H14O4 |
| SMILES |
CC1=C(C2=C(C=C1)C(=O)C3=CC=CC(=C3O2)CC(=O)O)C |
| InChI |
InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19) |
| synonyms |
- Vadimezan
- DMXAA
- 5,6-Mexaa
- 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid
- AS-1404
- ASA404
- ASA-404
- 5,6-Dimethylxanthenone-4-acetic acid
- 5,6-dimethylxanthenoneacetic acid
- NSC-640488
- Vadimezan [INN]
- Dimethyloxoxanthene acetic acid
- 9H-Xanthene-4-acetic acid, 5,6-dimethyl-9-oxo-
- 5,6-Dimethyl-9-oxo-9H-xanthene-4-acetic acid
- (5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid
- vadimezanum
- NSC 640488
- CHEBI:75934
- ASA 404
- 5,6-Dimethyl xanthenone acetic acid
- AS1404
- AS 1404
- UNII-0829J8133H
- VADIMEZAN [WHO-DD]
- 0829J8133H
- DTXSID2040949
- (5,6-dimethyl-9-oxoxanthen-4-yl)acetic acid
- EC 700-141-4
- 5,6-MexXAA
- dimethylxanthenone acetic acid
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| Properties |
| Property |
Value |
| MW |
282.29 g/mol |
| HBD |
1 |
| HBA |
4 |
| Rotatable Bond Count |
2 |
| Exact Mass |
282.08920892 g/mol |
| Monoisotopic Mass |
282.08920892 g/mol |
| Heavy Atom Count |
21 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
433 |
| xlogp |
3.2 |
| Topological Polar Surface Area |
63.6 |
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