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- ChemComp-GQ9: 6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: GQ9
NameName: 6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine

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Chemical information

Composition
Formula: C15H11ClN6O / Number of atoms: 34 / Formula weight: 326.74 / Formal charge: 0
Others

7d26

Type: non-polymer / PDB classification: HETAIN / Three letter code: GQ9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7D26
History
Create componentSep 16, 2020
Initial releaseJul 28, 2021
External linksUniChem / ChemSpider / 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 3.385Nc1nc(Cl)c2ncn(Cc3oc(nc3)c4ccccc4)c2n1
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ncc(o2)Cn3cnc4c3nc(nc4Cl)N

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SMILES CANONICAL

CACTVS 3.385Nc1nc(Cl)c2ncn(Cc3oc(nc3)c4ccccc4)c2n1
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ncc(o2)Cn3cnc4c3nc(nc4Cl)N

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InChI

InChI 1.03InChI=1S/C15H11ClN6O/c16-12-11-13(21-15(17)20-12)22(8-19-11)7-10-6-18-14(23-10)9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,17,20,21)

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InChIKey

InChI 1.03UYTXWVZDCZPGRX-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7d26:
Hsp90 alpha N-terminal domain in complex with a 8 compund

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