General Information of the Compound
| Compound ID |
CP0041749
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| Compound Name |
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
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| Synonyms |
1,3-Dihydro-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-5-isobenzofurancarbonitrile
1,3-dihydro[3,4]benzofuran-5-carbonitrile
1-(3-(Dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
AE-641/00603021
Akarin
Akarin (TN)
Celapram
Celapram (TN)
Celexa
Celexa (TN)
Celius
Celius (TN)
Ciazil
Ciazil (TN)
Cilift
Cilift (TN)
Cipram
Cipram (TN)
Cipramil (TN)
Ciprapine
Ciprapine (TN)
Citabax
Citabax (TN)
Citadur
Citadur (TN)
Citalec
Citalec (TN)
Citalopram
Citalopram (USP/INN)
Citalopram [Celexa]
Citalopram [INN:BAN]
Citalopram derivative 1
Citalopramum
Citalopramum [INN-Latin]
Citaxin (TN)
Citol (TN)
Citopam
Citopam (TN)
Citox (TN)
Citrol (TN)
Cytalopram
Dalsan
Dalsan (TN)
Humorup
Lu 10-171
Lu-10-171
Nitalapram
Oropram
PMID29334795-Compound-59
Pramcit
Recital
Recital (TN)
Seropram
Seropram (TN)
Talam
Talam (TN)
Talohexal
Temperax
Vodelax
Zentius
Zentius (TN)
Zetalo
Zetalo (TN)
[3H]Citalopram
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| Structure |
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| Formula |
C20H21FN2O
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| Molecular Weight |
324.399
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| Canonical SMILES |
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
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| InChI |
InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
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| InChIKey |
WSEQXVZVJXJVFP-UHFFFAOYSA-N
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| CAS |
59729-33-8
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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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Protein ID: PT00891, Sodium-dependent serotonin transporter
Protein ID: PT03795, Solute carrier family 22 member 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000006 | HEK293 | Homo sapiens (Human) | 2 |
| 1 |
EC50 = 468 nM
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TI
LI
LO
TS
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| 2 |
EC50 = 15848.93 nM
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TI
LI
LO
TS
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Clinical Information about the Compound
Drug 1 ( Citalopram derivative 1 )
| Drug Name | Citalopram derivative 1 | ||
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| Target(s) | |||