General Information of the Compound
| Compound ID |
CP0461243
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| Compound Name |
3-(2-phenyl-2-(piperazin-1-yl)ethyl)phenol
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| Synonyms |
1-[1-Phenyl-2-(3-hydroxyphenyl)ethyl]piperazine
3-(2-phenyl-2-(piperazin-1-yl)ethyl)phenol
3-[2-Phenyl-2-(piperazin-1-yl)ethyl]phenol
61311-64-6
BDBM50188056
CHEMBL210026
CTK2E2737
DTXSID30552209
Phenol, 3-[2-phenyl-2-(1-piperazinyl)ethyl]-
SCHEMBL8531930
VPNYIGJUQBPBMU-UHFFFAOYSA-N
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| Structure |
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| Formula |
C18H22N2O
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| Molecular Weight |
282.387
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| Canonical SMILES |
Oc1cccc(CC(N2CCNCC2)c2ccccc2)c1
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| InChI |
InChI=1S/C18H22N2O/c21-17-8-4-5-15(13-17)14-18(16-6-2-1-3-7-16)20-11-9-19-10-12-20/h1-8,13,18-19,21H,9-12,14H2
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| InChIKey |
VPNYIGJUQBPBMU-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Clinical Information about the Compound