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- ChemComp-ZVE: (3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine -

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Basic information

EntryDatabase: PDB chemical components / ID: ZVE
NameName: (3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

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Chemical information

Composition
Formula: C10H14F3N3 / Number of atoms: 30 / Formula weight: 233.233 / Formal charge: 0
Others

7ga0

Type: non-polymer / PDB classification: HETAIN / Three letter code: ZVE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7GA0
History
Create componentJul 5, 2023
Initial releaseJul 26, 2023
External linksUniChem / ChemSpider / PubChem / 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

ACDLabs 12.01Cn1cc(nc1C1CNCCC1)C(F)(F)F
CACTVS 3.385Cn1cc(nc1[CH]2CCCNC2)C(F)(F)F
OpenEye OEToolkits 2.0.7Cn1cc(nc1C2CCCNC2)C(F)(F)F

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SMILES CANONICAL

CACTVS 3.385Cn1cc(nc1[C@@H]2CCCNC2)C(F)(F)F
OpenEye OEToolkits 2.0.7Cn1cc(nc1[C@@H]2CCCNC2)C(F)(F)F

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InChI

InChI 1.06InChI=1S/C10H14F3N3/c1-16-6-8(10(11,12)13)15-9(16)7-3-2-4-14-5-7/h6-7,14H,2-5H2,1H3/t7-/m1/s1

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InChIKey

InChI 1.06ZPUMPEAGLZCEBQ-SSDOTTSWSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
OpenEye OEToolkits 2.0.7(3~{R})-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine

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PDB entries

Showing all 1 items

PDB-7ga0:
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z2048325751

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