General Information of the Compound
| Compound ID |
CP0412792
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| Compound Name |
4-benzyl-1-[2-(5-naphthalen-1-yltetrazol-1-yl)ethyl]piperidine
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| Structure |
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| Formula |
C25H27N5
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| Molecular Weight |
397.526
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| Canonical SMILES |
C(Cn1nnnc1-c1cccc2ccccc12)N1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C25H27N5/c1-2-7-20(8-3-1)19-21-13-15-29(16-14-21)17-18-30-25(26-27-28-30)24-12-6-10-22-9-4-5-11-23(22)24/h1-12,21H,13-19H2
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| InChIKey |
TWUUROJCSNPHBL-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