General Information of the Compound
| Compound ID |
CP0102174
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| Compound Name |
(3E)-3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-5-methyloxolan-2-one
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| Structure |
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| Formula |
C14H14O3
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| Molecular Weight |
230.263
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| Canonical SMILES |
CC1C\C(=C/c2ccc3OCCc3c2)C(=O)O1
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| InChI |
InChI=1S/C14H14O3/c1-9-6-12(14(15)17-9)8-10-2-3-13-11(7-10)4-5-16-13/h2-3,7-9H,4-6H2,1H3/b12-8+
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| InChIKey |
WBCONKPHYUGGFA-XYOKQWHBSA-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