General Information of the Compound
| Compound ID |
CP0004443
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| Compound Name |
N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline
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| Structure |
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| Formula |
C19H23ClN2
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| Molecular Weight |
314.86
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| Canonical SMILES |
ClC1(CNc2ccccc2)CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C19H23ClN2/c20-19(16-21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,21H,11-16H2
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| InChIKey |
JCHPURCMHDZKSA-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
Protein ID: PT03245, Acetylcholine-binding protein
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7