General Information of the Compound
| Compound ID |
CP0885813
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| Compound Name |
sodium 1-amino-4-(4-benzylphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C27H19N2NaO5S
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| Molecular Weight |
506.515
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| Canonical SMILES |
Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Cc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O.[Na+]
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| InChI |
InChI=1S/C27H20N2O5S.Na/c28-25-22(35(32,33)34)15-21(23-24(25)27(31)20-9-5-4-8-19(20)26(23)30)29-18-12-10-17(11-13-18)14-16-6-2-1-3-7-16;/h1-13,15,29H,14,28H2,(H,32,33,34);/q;+1/p-1
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| InChIKey |
RTIFKWDAJXJIGW-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