General Information of the Compound
| Compound ID |
CP0039361
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| Compound Name |
3,5-DIHYDROXYBENZOATE
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| Synonyms |
3,5-dihydroxybenzoic acid
5-carboxyresorcinol
NSC 22948
alpha-resorcylic acid
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| Structure |
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| Formula |
C7H6O4
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| Molecular Weight |
154.121
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| Canonical SMILES |
OC(=O)c1cc(O)cc(O)c1
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| InChI |
InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
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| InChIKey |
UYEMGAFJOZZIFP-UHFFFAOYSA-N
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| CAS |
99-10-5
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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
Clinical Information about the Compound