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- ChemComp-G6O: (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]... -

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Basic information

EntryDatabase: PDB chemical components / ID: G6O
NameName: (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol

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Chemical information

Composition
Formula: C14H19NO3 / Number of atoms: 37 / Formula weight: 249.306 / Formal charge: 0
Others

7cmv

Type: non-polymer / PDB classification: HETAIN / Three letter code: G6O / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7CMV
History
Create componentJul 31, 2020
Initial releaseMar 10, 2021
External linksUniChem / ChemSpider / BindingDB / ChEBI / ChEMBL / 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

CACTVS 3.385CCCN1CCO[CH]2[CH]1COc3ccc(O)cc23
OpenEye OEToolkits 2.0.7CCCN1CCOC2C1COc3c2cc(cc3)O

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SMILES CANONICAL

CACTVS 3.385CCCN1CCO[C@H]2[C@H]1COc3ccc(O)cc23
OpenEye OEToolkits 2.0.7CCCN1CCO[C@H]2[C@H]1COc3c2cc(cc3)O

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InChI

InChI 1.03InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1

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InChIKey

InChI 1.03YOILXOMTHPUMRG-TZMCWYRMSA-N

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PDB entries

Showing all 1 items

PDB-7cmv:
Dopamine Receptor D3R-Gi-PD128907 complex

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