General Information of the Compound
| Compound ID |
CP0131832
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| Compound Name |
1-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone
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| Structure |
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| Formula |
C21H31N3O4
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| Molecular Weight |
389.496
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| Canonical SMILES |
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(C)=O)O2)CC1
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| InChI |
InChI=1S/C21H31N3O4/c1-17(25)23-9-7-21(8-10-23)27-16-18(28-21)15-22-11-13-24(14-12-22)19-5-3-4-6-20(19)26-2/h3-6,18H,7-16H2,1-2H3
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| InChIKey |
ZPEUIKDDMPOHBF-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