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- ChemComp-PNT: 1,5-BIS(4-AMIDINOPHENOXY)PENTANE -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: PNT
NameName: 1,5-bis(4-amidinophenoxy)pentane
Commentmedication, Antimicrobial*YM

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Chemical information

Composition
Formula: C19H24N4O2 / Number of atoms: 49 / Formula weight: 340.419 / Formal charge: 0
Others

1d64

Type: NON-POLYMER / PDB classification: HETAD / Three letter code: PNT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1D64
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / HMDB / KEGG_Ligand / 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

ACDLabs 10.04O(c1ccc(cc1)C(=[N@H])N)CCCCCOc2ccc(C(=[N@H])N)cc2
CACTVS 3.341NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N

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SMILES CANONICAL

CACTVS 3.341NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N

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InChI

InChI 1.03InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)

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InChIKey

InChI 1.03XDRYMKDFEDOLFX-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.044,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide
OpenEye OEToolkits 1.5.04-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide

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