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- ChemComp-63Z: [1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol -

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Basic information

EntryDatabase: PDB chemical components / ID: 63Z
NameName: [1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol
Synonyms: (1-(4-Chloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanol

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Chemical information

Composition
Formula: C10H7ClF3N3O / Number of atoms: 25 / Formula weight: 277.63 / Formal charge: 0
Others

7pkv

Type: non-polymer / PDB classification: HETAIN / Three letter code: 63Z / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7PKV
History
Create componentJul 23, 2021
Initial releaseSep 7, 2022
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / PubChem / SureChEMBL / 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 3.385OCc1cn(nn1)c2ccc(Cl)c(c2)C(F)(F)F
OpenEye OEToolkits 2.0.7c1cc(c(cc1n2cc(nn2)CO)C(F)(F)F)Cl

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SMILES CANONICAL

CACTVS 3.385OCc1cn(nn1)c2ccc(Cl)c(c2)C(F)(F)F
OpenEye OEToolkits 2.0.7c1cc(c(cc1n2cc(nn2)CO)C(F)(F)F)Cl

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InChI

InChI 1.03InChI=1S/C10H7ClF3N3O/c11-9-2-1-7(3-8(9)10(12,13)14)17-4-6(5-18)15-16-17/h1-4,18H,5H2

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InChIKey

InChI 1.03MTSIIXPDVHCKBB-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7pkv:
Notum_Inhibitor ARUK3000223

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