General Information of the Compound
| Compound ID |
CP0879013
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| Compound Name |
N-(2-(4-Benzylpiperidin-1-yl)ethyl)quinoline-2-carboxamide
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| Structure |
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| Formula |
C24H27N3O
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| Molecular Weight |
373.5
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| Canonical SMILES |
O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2n1
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| InChI |
InChI=1S/C24H27N3O/c28-24(23-11-10-21-8-4-5-9-22(21)26-23)25-14-17-27-15-12-20(13-16-27)18-19-6-2-1-3-7-19/h1-11,20H,12-18H2,(H,25,28)
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| InChIKey |
DHGQDGVOFHPDSG-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter