General Information of the Compound
| Compound ID |
CP0208587
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| Compound Name |
3-(1-benzofuran-2-yl)-2,3,4,7-tetrahydro-1H-azepine
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| Structure |
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| Formula |
C14H15NO
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| Molecular Weight |
213.28
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| Canonical SMILES |
C1NCC(CC=C1)c1cc2ccccc2o1
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| InChI |
InChI=1S/C14H15NO/c1-2-7-13-11(5-1)9-14(16-13)12-6-3-4-8-15-10-12/h1-5,7,9,12,15H,6,8,10H2
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| InChIKey |
IHFKHNCURWJDHC-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter