General Information of the Compound
| Compound ID |
CP0420218
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| Compound Name |
1-[[7-(2-methoxyphenyl)-1,3-benzodioxol-5-yl]methyl]-4-methylpiperidine
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| Structure |
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| Formula |
C21H25NO3
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| Molecular Weight |
339.435
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| Canonical SMILES |
COc1ccccc1-c1cc(CN2CCC(C)CC2)cc2OCOc12
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| InChI |
InChI=1S/C21H25NO3/c1-15-7-9-22(10-8-15)13-16-11-18(21-20(12-16)24-14-25-21)17-5-3-4-6-19(17)23-2/h3-6,11-12,15H,7-10,13-14H2,1-2H3
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| InChIKey |
JVHCMLCXYAMTJM-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