General Information of the Compound
| Compound ID |
CP0785160
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| Compound Name |
sodium 1-amino-4-(4-methoxyphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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| Synonyms |
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-methoxyphenyl)amino)-9,10-dioxo-, monosodium salt
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-methoxyphenyl)amino)-9,10-dioxo-, sodium salt (1:1)
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methoxyphenyl)amino]-9,10-dioxo-, monosodium salt
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methoxyphenyl)amino]-9,10-dioxo-, sodium salt (1:1)
344PKU9JSY
63589-10-6
AC1Q1VH1
CHEMBL401735
EINECS 264-344-5
SB-416
UNII-344PKU9JSY
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| Structure |
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| Formula |
C21H15N2NaO6S
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| Molecular Weight |
446.416
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| Canonical SMILES |
COc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1.[Na+]
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| InChI |
InChI=1S/C21H16N2O6S.Na/c1-29-12-8-6-11(7-9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25;/h2-10,23H,22H2,1H3,(H,26,27,28);/q;+1/p-1
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| InChIKey |
UKZVMBMYDRZSBX-UHFFFAOYSA-M
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| CAS |
63589-10-6
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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: PT04714, P2Y purinoceptor 2
Cell-based Assay
Protein ID: PT06508, P2Y purinoceptor 2
Protein ID: PT05219, P2Y purinoceptor 4
Clinical Information about the Compound