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- ChemComp-WM2: cyclohexanecarboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: WM2
NameName: cyclohexanecarboxamide / Synonyms: Hexahydrobenzamide

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Chemical information

Composition
Formula: C7H13NO / Number of atoms: 22 / Formula weight: 127.184 / Formal charge: 0
Others

4n1q

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: WM2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4N1Q
History
Create componentOct 16, 2013
Initial releaseAug 12, 2015
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / ChemicalBook / CompTox / HMDB / NMRShiftDB / 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 12.01O=C(N)C1CCCCC1
CACTVS 3.385NC(=O)C1CCCCC1
OpenEye OEToolkits 1.7.6C1CCC(CC1)C(=O)N

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SMILES CANONICAL

CACTVS 3.385NC(=O)C1CCCCC1
OpenEye OEToolkits 1.7.6C1CCC(CC1)C(=O)N

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InChI

InChI 1.03InChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)

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InChIKey

InChI 1.03PNZXMIKHJXIPEK-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01cyclohexanecarboxamide
OpenEye OEToolkits 1.7.6cyclohexanecarboxamide

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PDB entries

Showing all 1 items

PDB-4n1q:
Structure of Cyclophilin A in complex with cyclohexanecarboxamide.

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