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- ChemComp-RWV: 1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: RWV
NameName: 1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine

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Chemical information

Composition
Formula: C11H19N3S / Number of atoms: 34 / Formula weight: 225.354 / Formal charge: 0
Others

5r5x

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RWV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5R5X
History
Create componentFeb 28, 2020
Initial releaseOct 28, 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

ACDLabs 12.01N1(CCC(CC1)CN)Cc2csc(n2)C
CACTVS 3.385Cc1scc(CN2CCC(CN)CC2)n1
OpenEye OEToolkits 2.0.6Cc1nc(cs1)CN2CCC(CC2)CN

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SMILES CANONICAL

CACTVS 3.385Cc1scc(CN2CCC(CN)CC2)n1
OpenEye OEToolkits 2.0.6Cc1nc(cs1)CN2CCC(CC2)CN

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InChI

InChI 1.03InChI=1S/C11H19N3S/c1-9-13-11(8-15-9)7-14-4-2-10(6-12)3-5-14/h8,10H,2-7,12H2,1H3

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InChIKey

InChI 1.03ZEYZIFKDRCDRKU-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
OpenEye OEToolkits 2.0.6[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine

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PDB entries

Showing all 2 items

PDB-5r5x:
PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z1259335913

PDB-5rwy:
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1259335913

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