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- ChemComp-GF6: 1-[3-(trifluoromethyl)phenyl]urea -

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Basic information

EntryDatabase: PDB chemical components / ID: GF6
NameName: 1-[3-(trifluoromethyl)phenyl]urea

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Chemical information

Composition
Formula: C8H7F3N2O / Number of atoms: 21 / Formula weight: 204.149 / Formal charge: 0
Others

7ctz

Type: non-polymer / PDB classification: HETAIN / Three letter code: GF6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7CTZ
History
Create componentAug 26, 2020
Initial releaseFeb 23, 2022
External linksUniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / CompTox / Nikkaji / 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 3.385NC(=O)Nc1cccc(c1)C(F)(F)F
OpenEye OEToolkits 2.0.7c1cc(cc(c1)NC(=O)N)C(F)(F)F

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SMILES CANONICAL

CACTVS 3.385NC(=O)Nc1cccc(c1)C(F)(F)F
OpenEye OEToolkits 2.0.7c1cc(cc(c1)NC(=O)N)C(F)(F)F

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InChI

InChI 1.03InChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14)

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InChIKey

InChI 1.03FQEIBEOBXKJAMZ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7ctz:
Wild-type plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with fragment 148, NADPH, and dUMP

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