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- ChemComp-SVG: (~{E})-1-(4-chlorophenyl)-~{N}-(pyridin-3-ylmethyl)ethanimine -

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Basic information

EntryDatabase: PDB chemical components / ID: SVG
NameName: (~{E})-1-(4-chlorophenyl)-~{N}-(pyridin-3-ylmethyl)ethanimine

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Chemical information

Composition
Formula: C14H13ClN2 / Number of atoms: 30 / Formula weight: 244.719 / Formal charge: 0
Others

5ra4

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SVG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RA4
History
Create componentMar 11, 2020
Initial releaseJul 22, 2020
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CC(=NCc1cccnc1)c2ccc(Cl)cc2
OpenEye OEToolkits 2.0.6CC(=NCc1cccnc1)c2ccc(cc2)Cl

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SMILES CANONICAL

CACTVS 3.385CC(=NCc1cccnc1)c2ccc(Cl)cc2
OpenEye OEToolkits 2.0.6C/C(=N\Cc1cccnc1)/c2ccc(cc2)Cl

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InChI

InChI 1.03InChI=1S/C14H13ClN2/c1-11(13-4-6-14(15)7-5-13)17-10-12-3-2-8-16-9-12/h2-9H,10H2,1H3/b17-11+

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InChIKey

InChI 1.03ZIGCQVKVNGOYBI-GZTJUZNOSA-N

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PDB entries

Showing all 1 items

PDB-5ra4:
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11337a in complex with MAP kinase p38-alpha

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