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- ChemComp-Y6P: 7-methyl-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: Y6P
NameName: 7-methyl-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid

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Chemical information

Composition
Formula: C13H11N3O2 / Number of atoms: 29 / Formula weight: 241.245 / Formal charge: 0
Others

7lmw

Type: non-polymer / PDB classification: HETAIN / Three letter code: Y6P / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7LMW
History
Create componentFeb 8, 2021
Initial releaseJul 28, 2021
External linksUniChem / ChemSpider / PubChem / 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 3.385Cc1cccc2c1[nH]c(C(O)=O)c2c3c[nH]nc3
OpenEye OEToolkits 2.0.7Cc1cccc2c1[nH]c(c2c3c[nH]nc3)C(=O)O

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SMILES CANONICAL

CACTVS 3.385Cc1cccc2c1[nH]c(C(O)=O)c2c3c[nH]nc3
OpenEye OEToolkits 2.0.7Cc1cccc2c1[nH]c(c2c3c[nH]nc3)C(=O)O

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InChI

InChI 1.03InChI=1S/C13H11N3O2/c1-7-3-2-4-9-10(8-5-14-15-6-8)12(13(17)18)16-11(7)9/h2-6,16H,1H3,(H,14,15)(H,17,18)

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InChIKey

InChI 1.03GUEVKZFKUSZADK-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7lmw:
Receptor for Advanced Glycation End Products VC1 domain in complex with 3-(3-((4-(4-carboxyphenoxy)benzyl)oxy)phenyl)-1H-indole-2-carboxylic acid

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