General Information of the Compound
| Compound ID |
CP0145994
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| Compound Name |
3-(1-benzofuran-2-yl)-1-methyl-2,3,4,7-tetrahydroazepine
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| Structure |
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| Formula |
C15H17NO
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| Molecular Weight |
227.307
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| Canonical SMILES |
CN1CC=CCC(C1)c1cc2ccccc2o1
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| InChI |
InChI=1S/C15H17NO/c1-16-9-5-4-7-13(11-16)15-10-12-6-2-3-8-14(12)17-15/h2-6,8,10,13H,7,9,11H2,1H3
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| InChIKey |
LBMMBEDCUJAMIZ-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