General Information of the Compound
| Compound ID |
CP0534761
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| Compound Name |
5-(4-Phenoxybutoxy)-2H-[1]benzopyran-2-one
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| Structure |
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| Formula |
C19H18O4
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| Molecular Weight |
310.349
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| Canonical SMILES |
O=c1ccc2c(OCCCCOc3ccccc3)cccc2o1
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| InChI |
InChI=1S/C19H18O4/c20-19-12-11-16-17(9-6-10-18(16)23-19)22-14-5-4-13-21-15-7-2-1-3-8-15/h1-3,6-12H,4-5,13-14H2
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| InChIKey |
YVVGKLVGPBLZJE-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