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- ChemComp-BV7: 3-(4-piperidyl)propanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: BV7
NameName: 3-(4-piperidyl)propanoic acid

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Chemical information

Composition
Formula: C8H15NO2 / Number of atoms: 26 / Formula weight: 157.21 / Formal charge: 0
Others

4bv7

Type: non-polymer / PDB classification: HETAIN / Three letter code: BV7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4BV7
History
Create componentJun 25, 2013
Initial releaseJul 8, 2014
Other modificationJul 10, 2014
External linksUniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / CompTox / 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)CCC1CCNCC1
CACTVS 3.385OC(=O)CCC1CCNCC1
OpenEye OEToolkits 1.7.6C1CNCCC1CCC(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)CCC1CCNCC1
OpenEye OEToolkits 1.7.6C1CNCCC1CCC(=O)O

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InChI

InChI 1.03InChI=1S/C8H15NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h7,9H,1-6H2,(H,10,11)

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InChIKey

InChI 1.03AUYQMCCWFNSFGV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.013-(piperidin-4-yl)propanoic acid
OpenEye OEToolkits 1.7.63-piperidin-4-ylpropanoic acid

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PDB entries

Showing all 1 items

PDB-4bv7:
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.

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