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- ChemComp-7VL: 4-(7-chloranylquinolin-4-yl)-2-methyl-phenol -

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Basic information

EntryDatabase: PDB chemical components / ID: 7VL
NameName: 4-(7-chloranylquinolin-4-yl)-2-methyl-phenol

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Chemical information

Composition
Formula: C16H12ClNO / Number of atoms: 31 / Formula weight: 269.726 / Formal charge: 0
Others

5wz0
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7VL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5WZ0
History
Create componentJan 19, 2017
Initial releaseJul 4, 2018
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 3.385Cc1cc(ccc1O)c2ccnc3cc(Cl)ccc23
OpenEye OEToolkits 2.0.6Cc1cc(ccc1O)c2ccnc3c2ccc(c3)Cl

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SMILES CANONICAL

CACTVS 3.385Cc1cc(ccc1O)c2ccnc3cc(Cl)ccc23
OpenEye OEToolkits 2.0.6Cc1cc(ccc1O)c2ccnc3c2ccc(c3)Cl

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InChI

InChI 1.03InChI=1S/C16H12ClNO/c1-10-8-11(2-5-16(10)19)13-6-7-18-15-9-12(17)3-4-14(13)15/h2-9,19H,1H3

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InChIKey

InChI 1.03VBXAMTUJCKJXCI-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.64-(7-chloranylquinolin-4-yl)-2-methyl-phenol

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PDB entries

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PDB-5z15:
Crystal structure of human TLR8 in complex with CU-CPT9c

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