General Information of the Compound
| Compound ID |
CP0894654
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| Compound Name |
N-(3-(4-Benzylpiperidin-1-yl)propyl)-[1,1'-biphenyl]-4-carboxamide
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| Structure |
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| Formula |
C28H32N2O
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| Molecular Weight |
412.577
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| Canonical SMILES |
O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1
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| InChI |
InChI=1S/C28H32N2O/c31-28(27-14-12-26(13-15-27)25-10-5-2-6-11-25)29-18-7-19-30-20-16-24(17-21-30)22-23-8-3-1-4-9-23/h1-6,8-15,24H,7,16-22H2,(H,29,31)
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| InChIKey |
MRCYIBGVKYPKAF-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