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FVX : Summary
Code
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FVX
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One-letter code
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X
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Molecule name
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Fluvoxamine
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Synonyms
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2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine
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Systematic names
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Formula
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C15 H21 F3 N2 O2
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Formal charge
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0
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Molecular weight
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318.335 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
FC(F)(F)c1ccc(\C(=N\OCCN)CCCCOC)cc1 |
SMILES
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CACTVS |
3.370 |
COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F |
SMILES
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OpenEye OEToolkits |
1.7.6 |
COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F |
Canonical SMILES
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CACTVS |
3.370 |
COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F |
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IUPAC 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+ |
IUPAC InChI key | CJOFXWAVKWHTFT-XSFVSMFZSA-N |
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wwPDB Information |
Atom count
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43 (22 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2012-04-23
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Last modified at
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2021-03-01
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Status
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Released
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Obsoleted
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Not Assigned
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