General Information of the Compound
| Compound ID |
CP0418126
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| Compound Name |
US9212147, 14
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| Structure |
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| Formula |
C13H14N2O3
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| Molecular Weight |
246.266
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| Canonical SMILES |
OCc1ccc(CCc2cc(O)c(=O)[nH]n2)cc1
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| InChI |
InChI=1S/C13H14N2O3/c16-8-10-3-1-9(2-4-10)5-6-11-7-12(17)13(18)15-14-11/h1-4,7,16H,5-6,8H2,(H,14,17)(H,15,18)
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| InChIKey |
XHFJXILOSNMVBV-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