General Information of the Compound
| Compound ID |
CP0151260
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| Compound Name |
4-amino-5-{3-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]prop-1-en-1-yl]phenyl}-1,2-oxazole-3-carboxylic acid
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| Structure |
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| Formula |
C21H18N2O7
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| Molecular Weight |
410.382
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| Canonical SMILES |
COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1onc(C(O)=O)c1N
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| InChI |
InChI=1S/C21H18N2O7/c1-28-21(27)16-14(24)8-3-9-15(16)29-10-4-6-12-5-2-7-13(11-12)19-17(22)18(20(25)26)23-30-19/h2-9,11,24H,10,22H2,1H3,(H,25,26)/b6-4+
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| InChIKey |
YTVRHCPRVOWGNG-GQCTYLIASA-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