General Information of the Compound
| Compound ID |
CP0389957
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| Compound Name |
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C24H28N4O2
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| Molecular Weight |
404.514
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCNC(=O)c2ccc3ccccc3n2)CC1
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| InChI |
InChI=1S/C24H28N4O2/c1-30-23-10-5-4-9-22(23)28-17-15-27(16-18-28)14-6-13-25-24(29)21-12-11-19-7-2-3-8-20(19)26-21/h2-5,7-12H,6,13-18H2,1H3,(H,25,29)
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| InChIKey |
GITZDUXSNMQZGA-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