General Information of the Compound
| Compound ID |
CP0763926
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| Compound Name |
8-(Furan-2-carbonyl)-2-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane
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| Structure |
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| Formula |
C24H31N3O5
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| Molecular Weight |
441.528
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| Canonical SMILES |
COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccco4)CC3)O2)CC1
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| InChI |
InChI=1S/C24H31N3O5/c1-29-21-6-3-2-5-20(21)26-14-12-25(13-15-26)17-19-18-31-24(32-19)8-10-27(11-9-24)23(28)22-7-4-16-30-22/h2-7,16,19H,8-15,17-18H2,1H3
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| InChIKey |
RMARPDOMKGOSCL-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