General Information of the Compound
| Compound ID |
CP0903821
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| Compound Name |
Sodium 1-Amino-4-[4-(4,6-dihydroxy[1,3,5]triazine-2-ylamino)-phenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C23H15N6NaO7S
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| Molecular Weight |
542.465
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| Canonical SMILES |
Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Nc3nc(O)nc(O)n3)cc2)c2c1C(=O)c1ccccc1C2=O.[Na+]
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| InChI |
InChI=1S/C23H16N6O7S.Na/c24-18-15(37(34,35)36)9-14(16-17(18)20(31)13-4-2-1-3-12(13)19(16)30)25-10-5-7-11(8-6-10)26-21-27-22(32)29-23(33)28-21;/h1-9,25H,24H2,(H,34,35,36)(H3,26,27,28,29,32,33);/q;+1/p-1
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| InChIKey |
GJMBLLXANUDGDH-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: PT05219, P2Y purinoceptor 4