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- ChemComp-M1H: ~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: M1H
NameName: ~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine

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Chemical information

Composition
Formula: C10H14N2 / Number of atoms: 26 / Formula weight: 162.232 / Formal charge: 0
Others

6sz3

Type: non-polymer / PDB classification: HETAIN / Three letter code: M1H / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6SZ3
History
Create componentOct 2, 2019
Initial releaseMar 4, 2020
External linksUniChem / ChemSpider / 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

CACTVS 3.385CNc1ccnc2CCCCc12
OpenEye OEToolkits 2.0.7CNc1ccnc2c1CCCC2

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SMILES CANONICAL

CACTVS 3.385CNc1ccnc2CCCCc12
OpenEye OEToolkits 2.0.7CNc1ccnc2c1CCCC2

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InChI

InChI 1.03InChI=1S/C10H14N2/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h6-7H,2-5H2,1H3,(H,11,12)

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InChIKey

InChI 1.03KZFXOHUERSGRGX-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6sz3:
Crystal structure of YTHDC1 with fragment 4 (DHU_DC1_158)

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