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- ChemComp-6RR: ~{N}-[(3~{R})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-... -

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Basic information

EntryDatabase: PDB chemical components / ID: 6RR
NameName: ~{N}-[(3~{R})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine

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Chemical information

Composition
Formula: C11H16N2O2S / Number of atoms: 32 / Formula weight: 240.322 / Formal charge: 0
Others

5l8t

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6RR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5L8T
History
Create componentJun 8, 2016
Initial releaseOct 26, 2016
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 3.385Cc1ncccc1N[CH]2CCC[S](=O)(=O)C2
OpenEye OEToolkits 2.0.5Cc1c(cccn1)NC2CCCS(=O)(=O)C2

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SMILES CANONICAL

CACTVS 3.385Cc1ncccc1N[C@@H]2CCC[S](=O)(=O)C2
OpenEye OEToolkits 2.0.5Cc1c(cccn1)N[C@@H]2CCCS(=O)(=O)C2

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InChI

InChI 1.03InChI=1S/C11H16N2O2S/c1-9-11(5-2-6-12-9)13-10-4-3-7-16(14,15)8-10/h2,5-6,10,13H,3-4,7-8H2,1H3/t10-/m1/s1

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InChIKey

InChI 1.03UTGFIRRMSACIPX-SNVBAGLBSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.5~{N}-[(3~{R})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine

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PDB entries

Showing all 1 items

PDB-5l8t:
Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 2

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