General Information of the Compound
| Compound ID |
CP0476966
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| Compound Name |
US9212147, 23
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| Structure |
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| Formula |
C14H16N2O4
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| Molecular Weight |
276.292
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| Canonical SMILES |
COc1cc(CO)cc(CCc2cc(O)c(=O)[nH]n2)c1
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| InChI |
InChI=1S/C14H16N2O4/c1-20-12-5-9(4-10(6-12)8-17)2-3-11-7-13(18)14(19)16-15-11/h4-7,17H,2-3,8H2,1H3,(H,15,18)(H,16,19)
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| InChIKey |
VTEJXVXGISLOJS-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