General Information of the Compound
| Compound ID |
CP0536995
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| Compound Name |
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]methanamine
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| Structure |
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| Formula |
C21H27ClN2O
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| Molecular Weight |
358.913
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| Canonical SMILES |
COc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1
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| InChI |
InChI=1S/C21H27ClN2O/c1-25-20-8-6-17(7-9-20)14-23-15-18-10-12-24(13-11-18)16-19-4-2-3-5-21(19)22/h2-9,18,23H,10-16H2,1H3
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| InChIKey |
QEALCJPEKKTIKF-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