General Information of the Compound
| Compound ID |
CP0425230
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| Compound Name |
1-[3-[1-[2-(4-benzylpiperidin-1-yl)ethyl]tetrazol-5-yl]phenyl]ethanone
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| Structure |
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| Formula |
C23H27N5O
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| Molecular Weight |
389.503
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| Canonical SMILES |
CC(=O)c1cccc(c1)-c1nnnn1CCN1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C23H27N5O/c1-18(29)21-8-5-9-22(17-21)23-24-25-26-28(23)15-14-27-12-10-20(11-13-27)16-19-6-3-2-4-7-19/h2-9,17,20H,10-16H2,1H3
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| InChIKey |
DWFZYLFXZNEFKG-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter