General Information of the Compound
| Compound ID |
CP0893864
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| Compound Name |
Sodium 1-Amino-4-(4-hydroxy-3-methylphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C21H15N2NaO6S
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| Molecular Weight |
446.416
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| Canonical SMILES |
Cc1cc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)ccc1O.[Na+]
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| InChI |
InChI=1S/C21H16N2O6S.Na/c1-10-8-11(6-7-15(10)24)23-14-9-16(30(27,28)29)19(22)18-17(14)20(25)12-4-2-3-5-13(12)21(18)26;/h2-9,23-24H,22H2,1H3,(H,27,28,29);/q;+1/p-1
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| InChIKey |
ITGLACLFCZNNIB-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: PT01877, P2Y purinoceptor 1
Protein ID: PT02449, P2Y purinoceptor 12
Protein ID: PT04714, P2Y purinoceptor 2
Protein ID: PT05219, P2Y purinoceptor 4
Protein ID: PT02796, P2Y purinoceptor 6