General Information of the Compound
| Compound ID |
CP0890944
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| Compound Name |
(20S)-disodium 2-hydroxy-2-(3-hydroxymethyl-9-olato-4-oxo-4,6-dihydroindolizino[1,2-b]quinolin-2-yl)butanoate
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| Structure |
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| Formula |
C20H16N2Na2O6
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| Molecular Weight |
426.336
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| Canonical SMILES |
CCC(O)(C(=O)[O-])c1cc2n(c(=O)c1CO)Cc1cc3cc([O-])ccc3nc1-2.[Na+].[Na+]
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| InChI |
InChI=1S/C20H18N2O6.2Na/c1-2-20(28,19(26)27)14-7-16-17-11(8-22(16)18(25)13(14)9-23)5-10-6-12(24)3-4-15(10)21-17;;/h3-7,23-24,28H,2,8-9H2,1H3,(H,26,27);;/q;2*+1/p-2
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| InChIKey |
YDXUCVGOGIDHLM-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