General Information of the Compound
| Compound ID |
CP0416972
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| Compound Name |
N-benzyl-1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanamine
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| Structure |
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| Formula |
C21H28N2O
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| Molecular Weight |
324.468
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| Canonical SMILES |
COc1ccccc1CN1CCC(CNCc2ccccc2)CC1
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| InChI |
InChI=1S/C21H28N2O/c1-24-21-10-6-5-9-20(21)17-23-13-11-19(12-14-23)16-22-15-18-7-3-2-4-8-18/h2-10,19,22H,11-17H2,1H3
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| InChIKey |
INCIFYYFHUQREC-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