General Information of the Compound
| Compound ID |
CP0878490
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| Compound Name |
sodium 1-amino-4-(3-nitrophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C20H12N3NaO7S
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| Molecular Weight |
461.387
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| Canonical SMILES |
Nc1c(S(=O)(=O)[O-])cc(Nc2cccc([N+](=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+]
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| InChI |
InChI=1S/C20H13N3O7S.Na/c21-18-15(31(28,29)30)9-14(22-10-4-3-5-11(8-10)23(26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24;/h1-9,22H,21H2,(H,28,29,30);/q;+1/p-1
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| InChIKey |
JVCPYPQAYGVFKK-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: PT04714, P2Y purinoceptor 2
Protein ID: PT06508, P2Y purinoceptor 2