General Information of the Compound
| Compound ID |
CP0511048
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| Compound Name |
1'-[2-(2-pyridyl)ethyl]spiro[3,4-dihydro-2H-chromene-2,4'-(hexahydropyridine)]-4-one
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| Structure |
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| Formula |
C20H22N2O2
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| Molecular Weight |
322.408
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| Canonical SMILES |
O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc12
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| InChI |
InChI=1S/C20H22N2O2/c23-18-15-20(24-19-7-2-1-6-17(18)19)9-13-22(14-10-20)12-8-16-5-3-4-11-21-16/h1-7,11H,8-10,12-15H2
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| InChIKey |
YFZDJBNVNRXEMA-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