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- ChemComp-5P9: N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 5P9
NameName: N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide
Synonyms: (1~{R})-~{N}-(5-chloranylpyridin-2-yl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide

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Chemical information

Composition
Formula: C15H11ClN2O2 / Number of atoms: 31 / Formula weight: 286.713 / Formal charge: 0
Others

7p51

Type: non-polymer / PDB classification: HETAIN / Three letter code: 5P9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7P51
History
Create componentJul 14, 2021
Initial releaseOct 6, 2021
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

CACTVS 3.385Clc1ccc(NC(=O)[CH]2CC(=O)c3ccccc23)nc1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(CC2=O)C(=O)Nc3ccc(cn3)Cl

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SMILES CANONICAL

CACTVS 3.385Clc1ccc(NC(=O)[C@@H]2CC(=O)c3ccccc23)nc1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)[C@@H](CC2=O)C(=O)Nc3ccc(cn3)Cl

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InChI

InChI 1.03InChI=1S/C15H11ClN2O2/c16-9-5-6-14(17-8-9)18-15(20)12-7-13(19)11-4-2-1-3-10(11)12/h1-6,8,12H,7H2,(H,17,18,20)/t12-/m1/s1

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InChIKey

InChI 1.03SHUGQXDCDVWNCL-GFCCVEGCSA-N

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PDB entries

Showing all 1 items

PDB-7p51:
CRYSTAL STRUCTURE OF THE SARS-COV-2 MAIN PROTEASE COMPLEXED WITH FRAGMENT F01

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