General Information of the Compound
| Compound ID |
CP0921115
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| Compound Name |
sodium 1-amino-9,10-dioxo-4-(phenethylamino)-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C22H17N2NaO5S
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| Molecular Weight |
444.444
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| Canonical SMILES |
Nc1c(S(=O)(=O)[O-])cc(NCCc2ccccc2)c2c1C(=O)c1ccccc1C2=O.[Na+]
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| InChI |
InChI=1S/C22H18N2O5S.Na/c23-20-17(30(27,28)29)12-16(24-11-10-13-6-2-1-3-7-13)18-19(20)22(26)15-9-5-4-8-14(15)21(18)25;/h1-9,12,24H,10-11,23H2,(H,27,28,29);/q;+1/p-1
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| InChIKey |
FGUXIMRAQZCDSO-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