General Information of the Compound
| Compound ID |
CP0877358
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| Compound Name |
N-(3-(4-Benzylpiperidin-1-yl)propyl)-6-bromo-2-naphthamide
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| Structure |
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| Formula |
C26H29BrN2O
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| Molecular Weight |
465.435
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| Canonical SMILES |
O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1ccc2cc(Br)ccc2c1
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| InChI |
InChI=1S/C26H29BrN2O/c27-25-10-9-22-18-24(8-7-23(22)19-25)26(30)28-13-4-14-29-15-11-21(12-16-29)17-20-5-2-1-3-6-20/h1-3,5-10,18-19,21H,4,11-17H2,(H,28,30)
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| InChIKey |
DNULEDAKWYIMHX-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