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- ChemComp-KD6: 5-bromanyl-6-chloranyl-1~{H}-indole -

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Basic information

EntryDatabase: PDB chemical components / ID: KD6
NameName: 5-bromanyl-6-chloranyl-1~{H}-indole

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Chemical information

Composition
Formula: C8H5BrClN / Number of atoms: 16 / Formula weight: 230.489 / Formal charge: 0
Others

7zyd

Type: non-polymer / PDB classification: HETAIN / Three letter code: KD6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7ZYD
History
Create componentMay 24, 2022
Modify descriptorAug 22, 2022
Initial releaseOct 12, 2022
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / PubChem / 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 3.385Clc1cc2[nH]ccc2cc1Br
OpenEye OEToolkits 2.0.7c1c[nH]c2c1cc(c(c2)Cl)Br

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SMILES CANONICAL

CACTVS 3.385Clc1cc2[nH]ccc2cc1Br
OpenEye OEToolkits 2.0.7c1c[nH]c2c1cc(c(c2)Cl)Br

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InChI

InChI 1.06InChI=1S/C8H5BrClN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H

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InChIKey

InChI 1.06SMZUROGBNBCCPT-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7zyd:
Structure of Compound 6 Bound to CK2alpha

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