General Information of the Compound
| Compound ID |
CP0868055
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| Compound Name |
sodium 1-amino-9,10-dioxo-4-(4-phenoxyphenylamino)-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C26H17N2NaO6S
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| Molecular Weight |
508.487
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| Canonical SMILES |
Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Oc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O.[Na+]
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| InChI |
InChI=1S/C26H18N2O6S.Na/c27-24-21(35(31,32)33)14-20(22-23(24)26(30)19-9-5-4-8-18(19)25(22)29)28-15-10-12-17(13-11-15)34-16-6-2-1-3-7-16;/h1-14,28H,27H2,(H,31,32,33);/q;+1/p-1
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| InChIKey |
HMDHAVBZWQQWHA-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
Protein ID: PT04712, 5'-nucleotidase
Protein ID: PT05219, P2Y purinoceptor 4