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- ChemComp-36N: 5H-pyrrolo[2,3-b]pyrazine -

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Basic information

EntryDatabase: PDB chemical components / ID: 36N
NameName: 5H-pyrrolo[2,3-b]pyrazine

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Chemical information

Composition
Formula: C6H5N3 / Number of atoms: 14 / Formula weight: 119.124 / Formal charge: 0
Others

4qp6

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 36N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4QP6
History
Create componentJun 25, 2014
Initial releaseSep 23, 2015
External linksUniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / HMDB / NMRShiftDB / PubChem / 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 12.01n1c2c(ncc1)ccn2
CACTVS 3.385[nH]1ccc2nccnc12
OpenEye OEToolkits 1.7.6c1c[nH]c2c1nccn2

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SMILES CANONICAL

CACTVS 3.385[nH]1ccc2nccnc12
OpenEye OEToolkits 1.7.6c1c[nH]c2c1nccn2

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InChI

InChI 1.03InChI=1S/C6H5N3/c1-2-8-6-5(1)7-3-4-9-6/h1-4H,(H,8,9)

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InChIKey

InChI 1.03HFTVJMFWJUFBNO-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.015H-pyrrolo[2,3-b]pyrazine
OpenEye OEToolkits 1.7.65H-pyrrolo[2,3-b]pyrazine

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PDB entries

Showing all 1 items

PDB-4qp6:
Crystal Structure of ERK2 in complex with 5H-pyrrolo[2,3-b]pyrazine

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