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- ChemComp-P5H: 6-methyl-~{N}-[2-(methylsulfonylamino)ethyl]-2-oxidanylidene-3~{H... -

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Basic information

EntryDatabase: PDB chemical components / ID: P5H
NameName: 6-methyl-~{N}-[2-(methylsulfonylamino)ethyl]-2-oxidanylidene-3~{H}-pyridine-3-carboxamide

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Chemical information

Composition
Formula: C10H15N3O4S / Number of atoms: 33 / Formula weight: 273.309 / Formal charge: 0
Others

6yoq

Type: non-polymer / PDB classification: HETAIN / Three letter code: P5H / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6YOQ
History
Create componentApr 15, 2020
Initial releaseJul 15, 2020
External linksUniChem / ChemSpider / 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 3.385CC1=NC(=O)[CH](C=C1)C(=O)NCCN[S](C)(=O)=O
OpenEye OEToolkits 2.0.7CC1=NC(=O)C(C=C1)C(=O)NCCNS(=O)(=O)C

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SMILES CANONICAL

CACTVS 3.385CC1=NC(=O)[C@@H](C=C1)C(=O)NCCN[S](C)(=O)=O
OpenEye OEToolkits 2.0.7CC1=NC(=O)C(C=C1)C(=O)NCCNS(=O)(=O)C

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InChI

InChI 1.03InChI=1S/C10H15N3O4S/c1-7-3-4-8(10(15)13-7)9(14)11-5-6-12-18(2,16)17/h3-4,8,12H,5-6H2,1-2H3,(H,11,14)/t8-/m0/s1

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InChIKey

InChI 1.03GMIZUAADSVWSGE-QMMMGPOBSA-N

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PDB entries

Showing all 1 items

PDB-6yoq:
Crystal structure of YTHDC1 with compound VVR_DC1_002

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