General Information of the Compound
| Compound ID |
CP0846902
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| Compound Name |
sodium 1-amino-4-(4-bromo-2-carboxyphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C21H12BrN2NaO7S
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| Molecular Weight |
539.295
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| Canonical SMILES |
Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Br)cc2C(=O)O)c2c1C(=O)c1ccccc1C2=O.[Na+]
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| InChI |
InChI=1S/C21H13BrN2O7S.Na/c22-9-5-6-13(12(7-9)21(27)28)24-14-8-15(32(29,30)31)18(23)17-16(14)19(25)10-3-1-2-4-11(10)20(17)26;/h1-8,24H,23H2,(H,27,28)(H,29,30,31);/q;+1/p-1
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| InChIKey |
YGNAWOHQXHHMEH-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