General Information of the Compound
| Compound ID |
CP0874902
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| Compound Name |
sodium 1-amino-9,10-dioxo-4-(4-(phenylamino)phenylamino)-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C26H18N3NaO5S
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| Molecular Weight |
507.503
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| Canonical SMILES |
Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Nc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O.[Na+]
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| InChI |
InChI=1S/C26H19N3O5S.Na/c27-24-21(35(32,33)34)14-20(22-23(24)26(31)19-9-5-4-8-18(19)25(22)30)29-17-12-10-16(11-13-17)28-15-6-2-1-3-7-15;/h1-14,28-29H,27H2,(H,32,33,34);/q;+1/p-1
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| InChIKey |
PQCMELOIIPXKML-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
Protein ID: PT05219, P2Y purinoceptor 4