General Information of the Compound
| Compound ID |
CP0775946
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| Compound Name |
2-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-8-(pyridin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
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| Structure |
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| Formula |
C24H32N4O3
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| Molecular Weight |
424.545
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| Canonical SMILES |
COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccn4)CC3)O2)CC1
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| InChI |
InChI=1S/C24H32N4O3/c1-29-22-7-3-2-6-21(22)27-16-14-26(15-17-27)18-20-19-30-24(31-20)9-12-28(13-10-24)23-8-4-5-11-25-23/h2-8,11,20H,9-10,12-19H2,1H3
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| InChIKey |
FHQARSACZPJNBL-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