General Information of the Compound
| Compound ID |
CP0246190
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| Compound Name |
US8614253, 43-9
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| Structure |
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| Formula |
C13H13NO4
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| Molecular Weight |
247.25
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| Canonical SMILES |
COc1cc(cc(C=O)c1O)-c1c(C)noc1C
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| InChI |
InChI=1S/C13H13NO4/c1-7-12(8(2)18-14-7)9-4-10(6-15)13(16)11(5-9)17-3/h4-6,16H,1-3H3
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| InChIKey |
JDRPRAISTKSUEP-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