General Information of the Compound
| Compound ID |
CP0068314
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| Compound Name |
N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-diphenylacetamide
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| Structure |
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| Formula |
C29H34N2O
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| Molecular Weight |
426.604
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| Canonical SMILES |
O=C(NCCCN1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H34N2O/c32-29(28(26-13-6-2-7-14-26)27-15-8-3-9-16-27)30-19-10-20-31-21-17-25(18-22-31)23-24-11-4-1-5-12-24/h1-9,11-16,25,28H,10,17-23H2,(H,30,32)
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| InChIKey |
DKXNWXXUHISEHY-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: PT04059, Sodium channel protein type 2 subunit alpha
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter