General Information of the Compound
| Compound ID |
CP0461242
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| Compound Name |
2-(2-phenyl-2-(piperazin-1-yl)ethyl)benzonitrile
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| Synonyms |
2-(2-phenyl-2-(piperazin-1-yl)ethyl)benzonitrile
CHEMBL213035
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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#Cc1ccccc1CC(N1CCNCC1)c1ccccc1
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| InChI |
InChI=1S/C19H21N3/c20-15-18-9-5-4-8-17(18)14-19(16-6-2-1-3-7-16)22-12-10-21-11-13-22/h1-9,19,21H,10-14H2
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| InChIKey |
FCHUPCOGZXEFDS-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