General Information of the Compound
| Compound ID |
CP0854361
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| Compound Name |
sodium 1-amino-4-(4-ethoxyphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C22H17N2NaO6S
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| Molecular Weight |
460.443
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| Canonical SMILES |
CCOc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1.[Na+]
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| InChI |
InChI=1S/C22H18N2O6S.Na/c1-2-30-13-9-7-12(8-10-13)24-16-11-17(31(27,28)29)20(23)19-18(16)21(25)14-5-3-4-6-15(14)22(19)26;/h3-11,24H,2,23H2,1H3,(H,27,28,29);/q;+1/p-1
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| InChIKey |
KSXJPHJLAQLPKH-UHFFFAOYSA-M
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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: PT06508, P2Y purinoceptor 2
Protein ID: PT04714, P2Y purinoceptor 2