General Information of the Compound
| Compound ID |
CP0917863
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| Compound Name |
sodium 1-amino-4-(4-(4,6-dihydroxy-1,3,5-triazin-2-ylamino)phenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C24H15ClN6Na2O9S2
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| Molecular Weight |
676.984
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| Canonical SMILES |
COc1nc(Cl)nc(Nc2ccc(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)cc2S(=O)(=O)[O-])n1.[Na+].[Na+]
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| InChI |
InChI=1S/C24H17ClN6O9S2.2Na/c1-40-24-30-22(25)29-23(31-24)28-13-7-6-10(8-15(13)41(34,35)36)27-14-9-16(42(37,38)39)19(26)18-17(14)20(32)11-4-2-3-5-12(11)21(18)33;;/h2-9,27H,26H2,1H3,(H,34,35,36)(H,37,38,39)(H,28,29,30,31);;/q;2*+1/p-2
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| InChIKey |
SJQXWLUEUYITSH-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
Protein ID: PT04714, P2Y purinoceptor 2
Protein ID: PT05219, P2Y purinoceptor 4
Protein ID: PT02796, P2Y purinoceptor 6