General Information of the Compound
| Compound ID |
CP0412070
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| Compound Name |
prop-2-enyl 7-(1,3-dithian-2-yl)-8-hydroxy-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carboxylate
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| Structure |
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| Formula |
C20H21NO5S2
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| Molecular Weight |
419.524
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| Canonical SMILES |
Oc1ccc2c3CCN(Cc3c(=O)oc2c1C1SCCCS1)C(=O)OCC=C
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| InChI |
InChI=1S/C20H21NO5S2/c1-2-8-25-20(24)21-7-6-12-13-4-5-15(22)16(19-27-9-3-10-28-19)17(13)26-18(23)14(12)11-21/h2,4-5,19,22H,1,3,6-11H2
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| InChIKey |
DWSLMEUOGIKYLG-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