General Information of the Compound
| Compound ID |
CP0142535
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| Compound Name |
3-bromo-5-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine
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| Structure |
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| Formula |
C18H21BrN2O
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| Molecular Weight |
361.283
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| Canonical SMILES |
Brc1cncc(COCC2(CCNCC2)c2ccccc2)c1
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| InChI |
InChI=1S/C18H21BrN2O/c19-17-10-15(11-21-12-17)13-22-14-18(6-8-20-9-7-18)16-4-2-1-3-5-16/h1-5,10-12,20H,6-9,13-14H2
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| InChIKey |
VVOGLOJOGOEZPO-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: PT00871, Sodium-dependent serotonin transporter
Protein ID: PT01410, Substance-P receptor