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- ChemComp-4AL: [4-(aminomethyl)phenyl]methanol -

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Basic information

EntryDatabase: PDB chemical components / ID: 4AL
NameName: [4-(aminomethyl)phenyl]methanol

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Chemical information

Composition
Formula: C8H11NO / Number of atoms: 21 / Formula weight: 137.179 / Formal charge: 0
Others

3khv

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4AL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KHV
History
Create componentNov 5, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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

CACTVS 3.352NCc1ccc(CO)cc1
OpenEye OEToolkits 1.7.0c1cc(ccc1CN)CO

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SMILES CANONICAL

CACTVS 3.352NCc1ccc(CO)cc1
OpenEye OEToolkits 1.7.0c1cc(ccc1CN)CO

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InChI

InChI 1.03InChI=1S/C8H11NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6,9H2

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InChIKey

InChI 1.03WMOUKOAUAFESMR-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.1[4-(aminomethyl)phenyl]methanol

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PDB entries

Showing all 1 items

PDB-3khv:
Crystal Structures of Urokinase-type Plasminogen Activator in Complex with 4-(Aminomethyl) Benzoic Acid and 4-(Aminomethyl-phenyl)-methanol

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