General Information of the Compound
Compound ID |
CP0389592
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Compound Name |
4-benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine
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Structure |
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Formula |
C21H31NO2
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Molecular Weight |
329.484
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Canonical SMILES |
C(C1COC2(CCCCC2)O1)N1CCC(Cc2ccccc2)CC1
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InChI |
InChI=1S/C21H31NO2/c1-3-7-18(8-4-1)15-19-9-13-22(14-10-19)16-20-17-23-21(24-20)11-5-2-6-12-21/h1,3-4,7-8,19-20H,2,5-6,9-17H2
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InChIKey |
OYNYCRXJGVFMSF-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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