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- ChemComp-YC5: 4-azanyl-3-fluoranyl-benzenethiol -

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Basic information

EntryDatabase: PDB chemical components / ID: YC5
NameName: 4-azanyl-3-fluoranyl-benzenethiol

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Chemical information

Composition
Formula: C6H6FNS / Number of atoms: 15 / Formula weight: 143.182 / Formal charge: 0
Others

8pdj

Type: non-polymer / PDB classification: HETAIN / Three letter code: YC5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8PDJ
History
Create componentJun 13, 2023
Initial releaseJun 28, 2023
External linksUniChem / ChemSpider / 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 3.385Nc1ccc(S)cc1F
OpenEye OEToolkits 2.0.7c1cc(c(cc1S)F)N

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SMILES CANONICAL

CACTVS 3.385Nc1ccc(S)cc1F
OpenEye OEToolkits 2.0.7c1cc(c(cc1S)F)N

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InChI

InChI 1.06InChI=1S/C6H6FNS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2

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InChIKey

InChI 1.06MAOWDGRYXPTHRM-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8pdj:
The phosphatase and C2 domains of SHIP1 with covalent Z56948267

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