General Information of the Compound
| Compound ID |
CP0447444
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| Compound Name |
1'-(2,4-difluorophenethyl)spiro[1,2,3,4-tetrahydronaphthalene-2,4'-(hexahydropyridine)]
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| Structure |
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| Formula |
C22H25F2N
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| Molecular Weight |
341.445
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| Canonical SMILES |
Fc1ccc(CCN2CCC3(CC2)CCc2ccccc2C3)c(F)c1
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| InChI |
InChI=1S/C22H25F2N/c23-20-6-5-18(21(24)15-20)8-12-25-13-10-22(11-14-25)9-7-17-3-1-2-4-19(17)16-22/h1-6,15H,7-14,16H2
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| InChIKey |
MXXYXEAKIQRROV-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2