General Information of the Compound
| Compound ID |
CP0878491
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| Compound Name |
sodium 4-(4-acetylphenylamino)-1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C22H15N2NaO6S
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| Molecular Weight |
458.427
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| Canonical SMILES |
CC(=O)c1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1.[Na+]
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| InChI |
InChI=1S/C22H16N2O6S.Na/c1-11(25)12-6-8-13(9-7-12)24-16-10-17(31(28,29)30)20(23)19-18(16)21(26)14-4-2-3-5-15(14)22(19)27;/h2-10,24H,23H2,1H3,(H,28,29,30);/q;+1/p-1
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| InChIKey |
ZEFFHAAJFSXHDB-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