General Information of the Compound
| Compound ID |
CP0650232
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| Compound Name |
Doxepin
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| Structure |
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| Formula |
C19H21NO
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| Molecular Weight |
279.383
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| Canonical SMILES |
CN(C)CCC=C1c2ccccc2COc2ccccc21
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| InChI |
InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
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| InChIKey |
ODQWQRRAPPTVAG-UHFFFAOYSA-N
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| CAS |
1668-19-5
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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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT03795, Solute carrier family 22 member 1