General Information of the Compound
| Compound ID |
CP0893861
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| Compound Name |
Sodium 1-Amino-4-(4-fluoro-3-methoxyphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C21H14FN2NaO6S
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| Molecular Weight |
464.406
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| Canonical SMILES |
COc1cc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)ccc1F.[Na+]
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| InChI |
InChI=1S/C21H15FN2O6S.Na/c1-30-15-8-10(6-7-13(15)22)24-14-9-16(31(27,28)29)19(23)18-17(14)20(25)11-4-2-3-5-12(11)21(18)26;/h2-9,24H,23H2,1H3,(H,27,28,29);/q;+1/p-1
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| InChIKey |
QZTACYQYIFJANH-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