General Information of the Compound
| Compound ID |
CP0416971
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| Compound Name |
N-[(3-ethylphenyl)methyl]-1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanamine
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| Structure |
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| Formula |
C23H32N2O
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| Molecular Weight |
352.522
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| Canonical SMILES |
CCc1cccc(CNCC2CCN(Cc3ccccc3OC)CC2)c1
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| InChI |
InChI=1S/C23H32N2O/c1-3-19-7-6-8-21(15-19)17-24-16-20-11-13-25(14-12-20)18-22-9-4-5-10-23(22)26-2/h4-10,15,20,24H,3,11-14,16-18H2,1-2H3
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| InChIKey |
QYOSOFDSQRQHFM-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