General Information of the Compound
| Compound ID |
CP0380754
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| Compound Name |
2-[(1E,3E)-4-(3,4-Dihydroxy-phenyl)-buta-1,3-dienyl]-benzooxazole-5-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C20H17NO5
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| Molecular Weight |
351.358
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| Canonical SMILES |
CCOC(=O)c1ccc2oc(\C=C\C=C\c3ccc(O)c(O)c3)nc2c1
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| InChI |
InChI=1S/C20H17NO5/c1-2-25-20(24)14-8-10-18-15(12-14)21-19(26-18)6-4-3-5-13-7-9-16(22)17(23)11-13/h3-12,22-23H,2H2,1H3/b5-3+,6-4+
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| InChIKey |
QXGNTEBDJQWOHG-GGWOSOGESA-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