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- ChemComp-BS8: 7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: BS8
NameName: 7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine

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Chemical information

Composition
Formula: C11H8FN5 / Number of atoms: 25 / Formula weight: 229.213 / Formal charge: 0
Others

6eq7

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BS8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6EQ7
History
Create componentOct 12, 2017
Initial releaseOct 31, 2018
External linksUniChem / ChemSpider / BindingDB / ChEMBL / PubChem / 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 3.385Nc1[nH]c2c(ccnc2n1)c3ccncc3F
OpenEye OEToolkits 2.0.6c1cncc(c1c2ccnc3c2[nH]c(n3)N)F

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SMILES CANONICAL

CACTVS 3.385Nc1[nH]c2c(ccnc2n1)c3ccncc3F
OpenEye OEToolkits 2.0.6c1cncc(c1c2ccnc3c2[nH]c(n3)N)F

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InChI

InChI 1.03InChI=1S/C11H8FN5/c12-8-5-14-3-1-6(8)7-2-4-15-10-9(7)16-11(13)17-10/h1-5H,(H3,13,15,16,17)

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InChIKey

InChI 1.03AYORLAGKWMLGEX-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.67-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine

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PDB entries

Showing all 1 items

PDB-6eq7:
MTH1 in complex with fragment 11

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