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- ChemComp-Z1L: 1-anilinocyclopropane-1-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: Z1L
NameName: 1-anilinocyclopropane-1-carboxylic acid

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Chemical information

Composition
Formula: C10H11NO2 / Number of atoms: 24 / Formula weight: 177.2 / Formal charge: 0
Others

7g8n

Type: non-polymer / PDB classification: HETAIN / Three letter code: Z1L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7G8N
History
Create componentJun 22, 2023
Initial releaseJul 12, 2023
External linksUniChem / ChemSpider / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 12.01O=C(O)C1(Nc2ccccc2)CC1
CACTVS 3.385OC(=O)C1(CC1)Nc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)NC2(CC2)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)C1(CC1)Nc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)NC2(CC2)C(=O)O

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InChI

InChI 1.06InChI=1S/C10H11NO2/c12-9(13)10(6-7-10)11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)

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InChIKey

InChI 1.06PEQKOXWTSSMZHA-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-anilinocyclopropane-1-carboxylic acid
OpenEye OEToolkits 2.0.71-phenylazanylcyclopropane-1-carboxylic acid

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PDB entries

Showing all 1 items

PDB-7g8n:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1262549981

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