General Information of the Compound
| Compound ID |
CP0115843
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| Compound Name |
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-2-ylmethanone
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| Structure |
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| Formula |
C24H36N4O4
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| Molecular Weight |
444.576
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| Canonical SMILES |
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)C3CCCN3)O2)CC1
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| InChI |
InChI=1S/C24H36N4O4/c1-30-22-7-3-2-6-21(22)27-15-13-26(14-16-27)17-19-18-31-24(32-19)8-11-28(12-9-24)23(29)20-5-4-10-25-20/h2-3,6-7,19-20,25H,4-5,8-18H2,1H3
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| InChIKey |
PCMIZIOZMQFVGQ-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