General Information of the Compound
| Compound ID |
CP0688481
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| Compound Name |
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 |
C19H29N3O3
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| Molecular Weight |
347.459
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| Canonical SMILES |
COc1ccccc1N1CCN(CC2COC3(CCNCC3)O2)CC1
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| InChI |
InChI=1S/C19H29N3O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)14-16-15-24-19(25-16)6-8-20-9-7-19/h2-5,16,20H,6-15H2,1H3
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| InChIKey |
BQGYIRQTWGRQRL-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