General Information of the Compound
| Compound ID |
CP0439601
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| Compound Name |
1'-[2-(1-naphthyl)ethyl]spiro[3,4-dihydro-1H-isochromene-3,4'-(hexahydropyridine)]-1-one
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| Structure |
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| Formula |
C25H25NO2
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| Molecular Weight |
371.48
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| Canonical SMILES |
O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc12
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| InChI |
InChI=1S/C25H25NO2/c27-24-23-11-4-2-7-21(23)18-25(28-24)13-16-26(17-14-25)15-12-20-9-5-8-19-6-1-3-10-22(19)20/h1-11H,12-18H2
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| InChIKey |
AROUGQIPMYQUEE-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