General Information of the Compound
| Compound ID |
CP0239251
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| Compound Name |
1'-pentyl-6H-spiro[benzofuro[6,5-d][1,3]dioxole-7,3'-indolin]-2'-one
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| Synonyms |
NaV1.7 inhibitors (pain)
NaV1.7 inhibitors (pain), Xenon Pharmaceuticals
XEN-907
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| Structure |
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| Formula |
C21H21NO4
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| Molecular Weight |
351.402
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| Canonical SMILES |
CCCCCN1C(=O)C2(COc3cc4OCOc4cc23)c2ccccc12
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| InChI |
InChI=1S/C21H21NO4/c1-2-3-6-9-22-16-8-5-4-7-14(16)21(20(22)23)12-24-17-11-19-18(10-15(17)21)25-13-26-19/h4-5,7-8,10-11H,2-3,6,9,12-13H2,1H3
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| InChIKey |
PHMRUZIIERITEP-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
Clinical Information about the Compound