General Information of the Compound
| Compound ID |
CP0430301
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| Compound Name |
(20RS)-8-ethyl-8-hydroxy-2,3,8,9,12,14-hexahydro-11H-[1,4]dioxino[3,2-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-9,12-dione
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| Structure |
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| Formula |
C22H18N2O6
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| Molecular Weight |
406.394
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| Canonical SMILES |
CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4cc3Cn1c2=O
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| InChI |
InChI=1S/C22H18N2O6/c1-2-22(27)14-7-16-19-12(9-24(16)20(25)13(14)10-30-21(22)26)5-11-6-17-18(8-15(11)23-19)29-4-3-28-17/h5-8,27H,2-4,9-10H2,1H3
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| InChIKey |
HBLFZGVLEXZEFR-UHFFFAOYSA-N
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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