General Information of the Compound
| Compound ID |
CP0408310
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| Compound Name |
4-[(2-bromo-5-methoxyphenyl)methyl]-1-[2-(2-chloro-4-methoxyphenyl)ethyl]piperidine
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| Structure |
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| Formula |
C22H27BrClNO2
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| Molecular Weight |
452.82
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| Canonical SMILES |
COc1ccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)c(Cl)c1
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| InChI |
InChI=1S/C22H27BrClNO2/c1-26-19-5-6-21(23)18(14-19)13-16-7-10-25(11-8-16)12-9-17-3-4-20(27-2)15-22(17)24/h3-6,14-16H,7-13H2,1-2H3
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| InChIKey |
YDPSNCPFCJTQRW-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