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- ChemComp-05Y: ~{N}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 05Y
NameName: ~{N}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide

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Chemical information

Composition
Formula: C17H18N4O / Number of atoms: 40 / Formula weight: 294.351 / Formal charge: 0
Others

7opr

Type: non-polymer / PDB classification: HETAIN / Three letter code: 05Y / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7OPR
History
Create componentJun 3, 2021
Initial releaseApr 6, 2022
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3
OpenEye OEToolkits 2.0.7CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3

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SMILES CANONICAL

CACTVS 3.385CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3
OpenEye OEToolkits 2.0.7CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3

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InChI

InChI 1.03InChI=1S/C17H18N4O/c1-2-16(22)20-17-19-14-8-3-4-9-15(14)21(17)12-10-13-7-5-6-11-18-13/h3-9,11H,2,10,12H2,1H3,(H,19,20,22)

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InChIKey

InChI 1.03XNCNQSNDNANIRM-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7opr:
Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CB1 in C123

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