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- ChemComp-43M: 4-CHLORO-3-METHYLPHENOL -

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Basic information

EntryDatabase: PDB chemical components / ID: 43M
NameName: 4-chloro-3-methylphenol

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Chemical information

Composition
Formula: C7H7ClO / Number of atoms: 16 / Formula weight: 142.583 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: 43M / Ideal coordinates details: OpenEye OEToolkits
History
Create componentApr 16, 2007
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / CompTox / DrugBank / HMDB / PubChem / SureChEMBL / 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 10.04Clc1ccc(O)cc1C
CACTVS 3.341Cc1cc(O)ccc1Cl
OpenEye OEToolkits 1.5.0Cc1cc(ccc1Cl)O

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SMILES CANONICAL

CACTVS 3.341Cc1cc(O)ccc1Cl
OpenEye OEToolkits 1.5.0Cc1cc(ccc1Cl)O

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InChI

InChI 1.03InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3

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InChIKey

InChI 1.03CFKMVGJGLGKFKI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.044-chloro-3-methylphenol
OpenEye OEToolkits 1.5.04-chloro-3-methyl-phenol

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PDB entries

Showing all 6 items

PDB-2p7a:
Crystal Structure of Estrogen Related Receptor g in complex with 3-methyl phenol

PDB-9zl7:
Structure of RY12 domain of rabbit RyR1 complexed with ATP and 4-chloro-m-cresol

PDB-9zn6:
Structure of rabbit RyR1 complexed with FKBP12.6 and calmodulin in the presence of dantrolene, ADP, 4-chloro-m-cresol, caffeine, and Mg2+

PDB-9zn9:
Structure of rabbit RyR1 complexed with FKBP12.6, calmodulin, ATP, 4-chloro-m-cresol, and caffeine

PDB-9zna:
Structure of rabbit RyR1 complexed with FKBP12.6, calmodulin, ADP, 4-chloro-m-cresol, caffeine, and Mg2+

PDB-9znd:
Structure of rabbit RyR1 complexed with FKBP12.6 and calmodulin in the presence of dantrolene, ATP, 4-chloro-m-cresol, caffeine, and Mg2+

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