General Information of the Compound
| Compound ID |
CP0393799
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| Compound Name |
1-(1-phenyl-2-(pyridin-4-yl)ethyl)piperazine
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| Synonyms |
1-(1-phenyl-2-(pyridin-4-yl)ethyl)piperazine
CHEMBL214004
SCHEMBL7967173
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| Structure |
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| Formula |
C17H21N3
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| Molecular Weight |
267.376
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| Canonical SMILES |
C(C(N1CCNCC1)c1ccccc1)c1ccncc1
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| InChI |
InChI=1S/C17H21N3/c1-2-4-16(5-3-1)17(20-12-10-19-11-13-20)14-15-6-8-18-9-7-15/h1-9,17,19H,10-14H2
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| InChIKey |
QVONDVLKKQSPCH-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
Clinical Information about the Compound