General Information of the Compound
| Compound ID |
CP0458097
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| Compound Name |
1'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione
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| Structure |
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| Formula |
C26H31N3O3
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| Molecular Weight |
433.552
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| Canonical SMILES |
COc1ccccc1N1CCN(CCN2C(=O)CC3(CCc4ccccc34)CC2=O)CC1
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| InChI |
InChI=1S/C26H31N3O3/c1-32-23-9-5-4-8-22(23)28-15-12-27(13-16-28)14-17-29-24(30)18-26(19-25(29)31)11-10-20-6-2-3-7-21(20)26/h2-9H,10-19H2,1H3
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| InChIKey |
RTQLJFPZJBGGOG-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor