General Information of the Compound
| Compound ID |
CP0459640
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| Compound Name |
1'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione
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| Structure |
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| Formula |
C27H33N3O3
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| Molecular Weight |
447.579
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc34)CC2=O)CC1
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| InChI |
InChI=1S/C27H33N3O3/c1-33-24-10-5-4-9-23(24)29-17-15-28(16-18-29)13-6-14-30-25(31)19-27(20-26(30)32)12-11-21-7-2-3-8-22(21)27/h2-5,7-10H,6,11-20H2,1H3
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| InChIKey |
DIHJKGKNVGCNHJ-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