General Information of the Compound
| Compound ID |
CP0452538
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| Compound Name |
3-(2,3-Dihydro-1,4-benzodioxin-6-yl)pyridine
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| Synonyms |
1092522-84-3
3-(2,3-Dihydro-1,4-benzodioxin-6-yl)pyridine
3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pyridine
3-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)pyridine
BDBM50273702
CHEMBL462092
ZINC40873967
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| Structure |
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| Formula |
C13H11NO2
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| Molecular Weight |
213.236
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| Canonical SMILES |
C1COc2cc(ccc2O1)-c1cccnc1
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| InChI |
InChI=1S/C13H11NO2/c1-2-11(9-14-5-1)10-3-4-12-13(8-10)16-7-6-15-12/h1-5,8-9H,6-7H2
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| InChIKey |
WBKBSDQNOSGKCC-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Clinical Information about the Compound