General Information of the Compound
| Compound ID |
CP0062495
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| Compound Name |
(Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)piperidine
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| Synonyms |
(+)-2-(2,2-Dicyclohexylethyl)piperidine
(-)-2-(2,2-Dicyclohexylethyl)piperidine
2-(2,2-Dicyclohexylethyl)piperidine
Perhexilene
Perhexilina
Perhexilina [INN-Spanish]
Perhexiline
Perhexiline (INN)
Perhexiline [INN:BAN]
Perhexilinum
Perhexilinum [INN-Latin]
Perhexilline
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| Structure |
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| Formula |
C19H35N
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| Molecular Weight |
277.496
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| Canonical SMILES |
C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
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| InChI |
InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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| InChIKey |
CYXKNKQEMFBLER-UHFFFAOYSA-N
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| CAS |
39648-48-1
39648-47-0
6621-47-2
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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: PT00817, Cytochrome P450 2D6
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Clinical Information about the Compound