General Information of the Compound
| Compound ID |
CP0568518
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| Compound Name |
4-[(2-chloro-5-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidine
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| Structure |
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| Formula |
C21H26ClNO
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| Molecular Weight |
343.898
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| Canonical SMILES |
COc1ccc(Cl)c(CC2CCN(CCc3ccccc3)CC2)c1
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| InChI |
InChI=1S/C21H26ClNO/c1-24-20-7-8-21(22)19(16-20)15-18-10-13-23(14-11-18)12-9-17-5-3-2-4-6-17/h2-8,16,18H,9-15H2,1H3
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| InChIKey |
QSLHDMCXDZFLGL-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00871, Sodium-dependent serotonin transporter