General Information of the Compound
| Compound ID |
CP0868056
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| Compound Name |
sodium 1-amino-9,10-dioxo-4-(6-sulfonatonaphthalen-1-ylamino)-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C24H14N2Na2O8S2
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| Molecular Weight |
568.496
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| Canonical SMILES |
Nc1c(S(=O)(=O)[O-])cc(Nc2cccc3cc(S(=O)(=O)[O-])ccc23)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+]
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| InChI |
InChI=1S/C24H16N2O8S2.2Na/c25-22-19(36(32,33)34)11-18(20-21(22)24(28)16-6-2-1-5-15(16)23(20)27)26-17-7-3-4-12-10-13(35(29,30)31)8-9-14(12)17;;/h1-11,26H,25H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
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| InChIKey |
ZAFWDMAFMHFRBH-UHFFFAOYSA-L
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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