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- ChemComp-5LU: Prochloraz -

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Basic information

EntryDatabase: PDB chemical components / ID: 5LU
NameName: Prochloraz
Synonyms: ~{N}-propyl-~{N}-[2-[2,4,6-tris(chloranyl)phenoxy]ethyl]imidazole-1-carboxamide

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Chemical information

Composition
Formula: C15H16Cl3N3O2 / Number of atoms: 39 / Formula weight: 376.665 / Formal charge: 0
Others

5eag

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5LU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5EAG
History
Create componentOct 21, 2015
Initial releaseFeb 10, 2016
Modify synonymsJun 5, 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 3.385CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2
OpenEye OEToolkits 2.0.4CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2

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SMILES CANONICAL

CACTVS 3.385CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2
OpenEye OEToolkits 2.0.4CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2

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InChI

InChI 1.03InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3

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InChIKey

InChI 1.03TVLSRXXIMLFWEO-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-5eag:
Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Prochloraz

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