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- ChemComp-9X3: N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: 9X3
NameName: N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine

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Chemical information

Composition
Formula: C13H20N2O / Number of atoms: 36 / Formula weight: 220.311 / Formal charge: 0
Others

4ucp

Type: non-polymer / PDB classification: HETAIN / Three letter code: 9X3 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4UCP
History
Create componentDec 4, 2014
Initial releaseMay 13, 2015
External linksUniChem / ChemSpider / CompTox / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O2CCN(Cc1cc(ccc1)CNC)CC2
CACTVS 3.385CNCc1cccc(CN2CCOCC2)c1
OpenEye OEToolkits 1.7.6CNCc1cccc(c1)CN2CCOCC2

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SMILES CANONICAL

CACTVS 3.385CNCc1cccc(CN2CCOCC2)c1
OpenEye OEToolkits 1.7.6CNCc1cccc(c1)CN2CCOCC2

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InChI

InChI 1.03InChI=1S/C13H20N2O/c1-14-10-12-3-2-4-13(9-12)11-15-5-7-16-8-6-15/h2-4,9,14H,5-8,10-11H2,1H3

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InChIKey

InChI 1.03JZMYRFZAMCXUIF-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine
OpenEye OEToolkits 1.7.6N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine

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PDB entries

Showing all 1 items

PDB-4ucp:
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A FRAGMENT

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