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- ChemComp-V6L: ~{N}-cyclopentyl-3-methyl-1~{H}-pyrazole-5-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: V6L
NameName: ~{N}-cyclopentyl-3-methyl-1~{H}-pyrazole-5-carboxamide

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Chemical information

Composition
Formula: C10H15N3O / Number of atoms: 29 / Formula weight: 193.246 / Formal charge: 0
Others

8cng

Type: non-polymer / PDB classification: HETAIN / Three letter code: V6L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8CNG
History
Create componentFeb 23, 2023
Initial releaseJan 10, 2024
External linksUniChem / ChemSpider / 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 3.385Cc1cc([nH]n1)C(=O)NC2CCCC2
OpenEye OEToolkits 2.0.7Cc1cc([nH]n1)C(=O)NC2CCCC2

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SMILES CANONICAL

CACTVS 3.385Cc1cc([nH]n1)C(=O)NC2CCCC2
OpenEye OEToolkits 2.0.7Cc1cc([nH]n1)C(=O)NC2CCCC2

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InChI

InChI 1.06InChI=1S/C10H15N3O/c1-7-6-9(13-12-7)10(14)11-8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,11,14)(H,12,13)

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InChIKey

InChI 1.06VOPDIXWMEBTVAM-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8cng:
Pa.FabF-C164Q in complex with ~{N}-cyclopentyl-3-methyl-1~{H}-pyrazole-5-carboxamide

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