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- ChemComp-6RC: 4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)i... -

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Basic information

EntryDatabase: PDB chemical components / ID: 6RC
NameName: 4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

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Chemical information

Composition
Formula: C26H27N7O3 / Number of atoms: 63 / Formula weight: 485.538 / Formal charge: 0
Others

5k9r

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6RC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5K9R
History
Create componentJun 1, 2016
Initial releaseAug 23, 2016
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 3.385COCCn1cc(cn1)c2cnc(N3CCOCC3)c4nc(COc5ccc6ccccc6n5)cn24
OpenEye OEToolkits 2.0.5COCCn1cc(cn1)c2cnc(c3n2cc(n3)COc4ccc5ccccc5n4)N6CCOCC6

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SMILES CANONICAL

CACTVS 3.385COCCn1cc(cn1)c2cnc(N3CCOCC3)c4nc(COc5ccc6ccccc6n5)cn24
OpenEye OEToolkits 2.0.5COCCn1cc(cn1)c2cnc(c3n2cc(n3)COc4ccc5ccccc5n4)N6CCOCC6

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InChI

InChI 1.03InChI=1S/C26H27N7O3/c1-34-11-10-32-16-20(14-28-32)23-15-27-25(31-8-12-35-13-9-31)26-29-21(17-33(23)26)18-36-24-7-6-19-4-2-3-5-22(19)30-24/h2-7,14-17H,8-13,18H2,1H3

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InChIKey

InChI 1.03FTYUTNBYQHNWNV-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.54-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

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PDB entries

Showing all 1 items

PDB-5k9r:
PDE10a with imidazopyrazine inhibitor

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