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- ChemComp-X6K: 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: X6K
NameName: 3-(4-morpholin-4-ylpyrido[3',2':4,5]furo[3,2-D]pyrimidin-2-yl)phenol
Synonyms: PI-103

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Chemical information

Composition
Formula: C19H16N4O3 / Number of atoms: 42 / Formula weight: 348.355 / Formal charge: 0
Others

2x6k

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: X6K / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2X6K
History
Create componentFeb 17, 2010
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / CompTox / DrugBank / GtoPharmacology / HMDB / Nikkaji / PubChem / PubChem_TPharma / 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 10.04n1c(nc3c4cccnc4oc3c1N2CCOCC2)c5cccc(O)c5
CACTVS 3.352Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2
OpenEye OEToolkits 1.6.1c1cc(cc(c1)O)c2nc3c4cccnc4oc3c(n2)N5CCOCC5

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SMILES CANONICAL

CACTVS 3.352Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2
OpenEye OEToolkits 1.6.1c1cc(cc(c1)O)c2nc3c4cccnc4oc3c(n2)N5CCOCC5

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InChI

InChI 1.03InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2

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InChIKey

InChI 1.03TUVCWJQQGGETHL-UHFFFAOYSA-N

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PDB entries

Showing all 3 items

PDB-2x6k:
THE CRYSTAL STRUCTURE OF THE DROSOPHILA CLASS III PI3-KINASE VPS34 IN COMPLEX WITH PI-103

PDB-4jt6:
structure of mTORDeltaN-mLST8-PI-103 complex

PDB-4l23:
Crystal Structure of p110alpha complexed with niSH2 of p85alpha and PI-103

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