General Information of the Compound
| Compound ID |
CP0048263
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| Compound Name |
(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one O-(2-aminoethyl)oxime
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| Synonyms |
(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one O-(2-aminoethyl)oxime
(Z)-Fluvoxamine
2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
2-[({5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine
54739-18-3
C15H21F3N2O2
CAS
CHEBI:5138
CHEMBL814
DSSTox_CID_24002
DSSTox_GSID_44002
DSSTox_RID_80097
Dumyrox
Fluvoxamina
Fluvoxamina [INN-Spanish]
Fluvoxamine
Fluvoxamine (INN)
Fluvoxamine [INN:BAN]
Fluvoxamine-CR
Fluvoxaminum
Fluvoxaminum [INN-Latin]
Luvox (TN)
O4L1XPO44W
UNII-O4L1XPO44W
fluvoxamine
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| Structure |
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| Formula |
C15H21F3N2O2
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| Molecular Weight |
318.339
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| Canonical SMILES |
COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
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| InChIKey |
CJOFXWAVKWHTFT-XSFVSMFZSA-N
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| CAS |
54739-18-3
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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: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT00871, Sodium-dependent serotonin transporter
Clinical Information about the Compound
Drug 1 ( Fluvoxamine )
| Drug Name | Fluvoxamine | ||
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| Company | IVAX Pharmaceuticals | ||
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| Target(s) |
Serotonin transporter (SERT)
Inhibitor
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