General Information of the Compound
| Compound ID |
CP0500267
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| Compound Name |
2-(2,6-dimethoxyphenoxy)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethanamine
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| Structure |
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| Formula |
C19H29NO5
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| Molecular Weight |
351.443
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| Canonical SMILES |
COc1cccc(OC)c1OCCNCC1COC2(CCCCC2)O1
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| InChI |
InChI=1S/C19H29NO5/c1-21-16-7-6-8-17(22-2)18(16)23-12-11-20-13-15-14-24-19(25-15)9-4-3-5-10-19/h6-8,15,20H,3-5,9-14H2,1-2H3
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| InChIKey |
HXMKXETZPYTSRY-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor