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- ChemComp-CZX: 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole -

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Basic information

EntryDatabase: PDB chemical components / ID: CZX
NameName: 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole

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Chemical information

Composition
Formula: C13H16N2 / Number of atoms: 31 / Formula weight: 200.28 / Formal charge: 0
Others

6k41

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CZX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6K41
History
Create componentMay 24, 2019
Initial releaseApr 15, 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 3.385C[CH](c1c[nH]cn1)c2cccc(C)c2C
OpenEye OEToolkits 2.0.7Cc1cccc(c1C)C(C)c2c[nH]cn2

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SMILES CANONICAL

CACTVS 3.385C[C@H](c1c[nH]cn1)c2cccc(C)c2C
OpenEye OEToolkits 2.0.7Cc1cccc(c1C)[C@H](C)c2c[nH]cn2

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InChI

InChI 1.03InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1

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InChIKey

InChI 1.03CUHVIMMYOGQXCV-NSHDSACASA-N

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PDB entries

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