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- ChemComp-G62: 3-[6-[(1~{S},6~{R})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol -

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Basic information

EntryDatabase: PDB chemical components / ID: G62
NameName: 3-[6-[(1~{S},6~{R})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol

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Chemical information

Composition
Formula: C17H17NO2 / Number of atoms: 37 / Formula weight: 267.322 / Formal charge: 0
Others

6hi2

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: G62 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6HI2
History
Create componentAug 29, 2018
Initial releaseSep 11, 2019
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 3.385Oc1cccc(c1)c2cccc(n2)[C]34CCOC[CH]3C4
OpenEye OEToolkits 2.0.6c1cc(cc(c1)O)c2cccc(n2)C34CCOCC3C4

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SMILES CANONICAL

CACTVS 3.385Oc1cccc(c1)c2cccc(n2)[C@]34CCOC[C@H]3C4
OpenEye OEToolkits 2.0.6c1cc(cc(c1)O)c2cccc(n2)[C@]34CCOC[C@H]3C4

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InChI

InChI 1.03InChI=1S/C17H17NO2/c19-14-4-1-3-12(9-14)15-5-2-6-16(18-15)17-7-8-20-11-13(17)10-17/h1-6,9,13,19H,7-8,10-11H2/t13-,17+/m1/s1

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InChIKey

InChI 1.03LKFXAVVNPRARMY-DYVFJYSZSA-N

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PDB entries

Showing all 1 items

PDB-6hi2:
PI3 Kinase Delta in complex with 3{6[(1S,6R)3oxabicyclo[4.1.0]heptan6yl]pyridin2yl}phenol

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