General Information of the Compound
| Compound ID |
CP0495107
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| Compound Name |
2-[(1E,3E)-4-(4-Hydroxy-3-methoxy-phenyl)-buta-1,3-dienyl]-benzooxazole-6-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C21H19NO5
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| Molecular Weight |
365.385
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| Canonical SMILES |
CCOC(=O)c1ccc2nc(\C=C\C=C\c3ccc(O)c(OC)c3)oc2c1
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| InChI |
InChI=1S/C21H19NO5/c1-3-26-21(24)15-9-10-16-18(13-15)27-20(22-16)7-5-4-6-14-8-11-17(23)19(12-14)25-2/h4-13,23H,3H2,1-2H3/b6-4+,7-5+
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| InChIKey |
ZGPOUJXMGXSIGA-YDFGWWAZSA-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