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- ChemComp-7ZC: 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: 7ZC
NameName: 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine

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Chemical information

Composition
Formula: C12H16N2O / Number of atoms: 31 / Formula weight: 204.268 / Formal charge: 0
Others

5x69

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7ZC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5X69
History
Create componentFeb 23, 2017
Initial releaseJun 28, 2017
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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

CACTVS 3.385COc1ccc2[nH]cc(CN(C)C)c2c1
OpenEye OEToolkits 2.0.6CN(C)Cc1c[nH]c2c1cc(cc2)OC

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SMILES CANONICAL

CACTVS 3.385COc1ccc2[nH]cc(CN(C)C)c2c1
OpenEye OEToolkits 2.0.6CN(C)Cc1c[nH]c2c1cc(cc2)OC

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InChI

InChI 1.03InChI=1S/C12H16N2O/c1-14(2)8-9-7-13-12-5-4-10(15-3)6-11(9)12/h4-7,13H,8H2,1-3H3

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InChIKey

InChI 1.03GOERTRUXQHDLHC-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.61-(5-methoxy-1~{H}-indol-3-yl)-~{N},~{N}-dimethyl-methanamine

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PDB entries

Showing all 7 items

5r9c

5rhp

5rzj

5s36

5smh

5x69

8qe6

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