General Information of the Compound
| Compound ID |
CP0874901
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| Compound Name |
sodium 1-amino-4-(4-carboxyphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C21H13N2NaO7S
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| Molecular Weight |
460.399
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| Canonical SMILES |
Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(C(=O)O)cc2)c2c1C(=O)c1ccccc1C2=O.[Na+]
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| InChI |
InChI=1S/C21H14N2O7S.Na/c22-18-15(31(28,29)30)9-14(23-11-7-5-10(6-8-11)21(26)27)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24;/h1-9,23H,22H2,(H,26,27)(H,28,29,30);/q;+1/p-1
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| InChIKey |
JUSIXTZTIYAKHG-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