General Information of the Compound
| Compound ID |
CP0427305
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| Compound Name |
1-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]-4-methylpiperidine
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| Structure |
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| Formula |
C21H27NO
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| Molecular Weight |
309.453
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| Canonical SMILES |
COc1ccccc1-c1cc(CN2CCC(C)CC2)ccc1C
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| InChI |
InChI=1S/C21H27NO/c1-16-10-12-22(13-11-16)15-18-9-8-17(2)20(14-18)19-6-4-5-7-21(19)23-3/h4-9,14,16H,10-13,15H2,1-3H3
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| InChIKey |
OJNRGFBWYNDEKG-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