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- ChemComp-6NF: N-(CYCLOHEXYLMETHYL)-3-(4-PYRIDYL)-1H-PYRAZOL-5-AMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: 6NF
NameName: N-(cyclohexylmethyl)-3-(4-pyridyl)-1H-pyrazol-5-amine

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Chemical information

Composition
Formula: C15H20N4 / Number of atoms: 39 / Formula weight: 256.346 / Formal charge: 0
Others

5aki

Type: non-polymer / PDB classification: HETAIN / Three letter code: 6NF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5AKI
History
Create componentMar 3, 2015
Initial releaseMay 13, 2015
External linksUniChem / ChemSpider / PubChem / 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

CACTVS 3.385C1CCC(CC1)CNc2cc([nH]n2)c3ccncc3
OpenEye OEToolkits 1.7.6c1cnccc1c2cc(n[nH]2)NCC3CCCCC3

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SMILES CANONICAL

CACTVS 3.385C1CCC(CC1)CNc2cc([nH]n2)c3ccncc3
OpenEye OEToolkits 1.7.6c1cnccc1c2cc(n[nH]2)NCC3CCCCC3

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InChI

InChI 1.03InChI=1S/C15H20N4/c1-2-4-12(5-3-1)11-17-15-10-14(18-19-15)13-6-8-16-9-7-13/h6-10,12H,1-5,11H2,(H2,17,18,19)

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InChIKey

InChI 1.03PAVOZTULRSGNJC-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.7.6N-(cyclohexylmethyl)-5-pyridin-4-yl-1H-pyrazol-3-amine

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PDB entries

Showing all 1 items

PDB-5aki:
ligand complex structure of soluble epoxide hydrolase

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