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- ChemComp-HNO: N-tert-butyl-6,7-bis(chloranyl)quinoxalin-2-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: HNO
NameName: N-tert-butyl-6,7-bis(chloranyl)quinoxalin-2-amine

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Chemical information

Composition
Formula: C12H13Cl2N3 / Number of atoms: 30 / Formula weight: 270.158 / Formal charge: 0
Others

7duq

Type: non-polymer / PDB classification: HETAIN / Three letter code: HNO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7DUQ
History
Create componentJan 20, 2021
Initial releaseJul 7, 2021
External linksUniChem / ChemSpider / 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 3.385CC(C)(C)Nc1cnc2cc(Cl)c(Cl)cc2n1
OpenEye OEToolkits 2.0.7CC(C)(C)Nc1cnc2cc(c(cc2n1)Cl)Cl

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SMILES CANONICAL

CACTVS 3.385CC(C)(C)Nc1cnc2cc(Cl)c(Cl)cc2n1
OpenEye OEToolkits 2.0.7CC(C)(C)Nc1cnc2cc(c(cc2n1)Cl)Cl

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InChI

InChI 1.03InChI=1S/C12H13Cl2N3/c1-12(2,3)17-11-6-15-9-4-7(13)8(14)5-10(9)16-11/h4-6H,1-3H3,(H,16,17)

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InChIKey

InChI 1.03QYEPFRWKAAVUOP-UHFFFAOYSA-N

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PDB entries

Showing all 4 items

PDB-7duq:
Cryo-EM structure of the compound 2 and GLP-1-bound human GLP-1 receptor-Gs complex

PDB-7dur:
Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex

PDB-7e14:
Compound2_GLP-1R_OWL833_Gs complex structure

PDB-7evm:
Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex

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