General Information of the Compound
| Compound ID |
CP0748604
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| Compound Name |
5-[3-(2-carboxy-4-oxo-4H-5-chromenyloxy)-2-hydroxypropoxy]-4-oxo-4H-2-chromenecarboxylic acid (sodium) (disodium cromoglycate)
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| Synonyms |
Altoderm
Cromolyn sodium
Cromolyn sodium (topical, atopic dermatitis)
Cromolyn sodium (topical, atopic dermatitis), Manhattan Pharmaceuticals
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| Structure |
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| Formula |
C23H14Na2O11
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| Molecular Weight |
512.334
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| Canonical SMILES |
O=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1.[Na+].[Na+]
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| InChI |
InChI=1S/C23H16O11.2Na/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30;;/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30);;/q;2*+1/p-2
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| InChIKey |
VLARUOGDXDTHEH-UHFFFAOYSA-L
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| CAS |
105878-73-7
16110-51-3
15826-37-6
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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: PT00624, G protein-coupled receptor GPR35
Protein ID: PT03308, G-protein coupled receptor 35
Protein ID: PT06259, G-protein coupled receptor 35
Clinical Information about the Compound