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- ChemComp-7YV: (1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid -

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Basic information

EntryDatabase: PDB chemical components / ID: 7YV
NameName: (1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid

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Chemical information

Composition
Formula: C17H23NO / Number of atoms: 42 / Formula weight: 257.371 / Formal charge: 0
Others

7vnp

Type: non-polymer / PDB classification: HETAIN / Three letter code: 7YV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7VNP
History
Create componentNov 3, 2021
Initial releaseDec 1, 2021
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(C)c(NC(=O)[CH]2C[CH]3CC[CH]2C3)c(C)c1
OpenEye OEToolkits 2.0.7Cc1cc(c(c(c1)C)NC(=O)C2CC3CCC2C3)C

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SMILES CANONICAL

CACTVS 3.385Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c(C)c1
OpenEye OEToolkits 2.0.7Cc1cc(c(c(c1)C)NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C

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InChI

InChI 1.03InChI=1S/C17H23NO/c1-10-6-11(2)16(12(3)7-10)18-17(19)15-9-13-4-5-14(15)8-13/h6-7,13-15H,4-5,8-9H2,1-3H3,(H,18,19)/t13-,14+,15+/m1/s1

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InChIKey

InChI 1.03SIQGKPGBLYKQBB-ILXRZTDVSA-N

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PDB entries

Showing all 3 items

PDB-7vnp:
Structure of human KCNQ4-ML213 complex with PIP2

PDB-7vnq:
Structure of human KCNQ4-ML213 complex in nanodisc

PDB-7vnr:
Structure of human KCNQ4-ML213 complex in digitonin

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