General Information of the Compound
| Compound ID |
CP0946902
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| Compound Name |
Sodium 1-amino-4-(3,5-difluorophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C20H11F2N2NaO5S
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| Molecular Weight |
452.37
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| Canonical SMILES |
Nc1c(S(=O)(=O)[O-])cc(Nc2cc(F)cc(F)c2)c2c1C(=O)c1ccccc1C2=O.[Na+]
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| InChI |
InChI=1S/C20H12F2N2O5S.Na/c21-9-5-10(22)7-11(6-9)24-14-8-15(30(27,28)29)18(23)17-16(14)19(25)12-3-1-2-4-13(12)20(17)26;/h1-8,24H,23H2,(H,27,28,29);/q;+1/p-1
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| InChIKey |
WBOASFCKBZUSCG-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