General Information of the Compound
| Compound ID |
CP0446494
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| Compound Name |
3-(2-phenyl-2-(piperazin-1-yl)ethyl)benzonitrile
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| Synonyms |
3-(2-phenyl-2-(piperazin-1-yl)ethyl)benzonitrile
CHEMBL386223
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| Structure |
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| Formula |
C19H21N3
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| Molecular Weight |
291.398
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| Canonical SMILES |
N#Cc1cccc(CC(N2CCNCC2)c2ccccc2)c1
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| InChI |
InChI=1S/C19H21N3/c20-15-17-6-4-5-16(13-17)14-19(18-7-2-1-3-8-18)22-11-9-21-10-12-22/h1-8,13,19,21H,9-12,14H2
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| InChIKey |
JQQRBSOAFDAWGZ-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