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- ChemComp-CVT: 3,4,5-trimethoxy-~{N}-[(~{E})-naphthalen-1-ylmethylideneamino]ben... -

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Basic information

EntryDatabase: PDB chemical components / ID: CVT
NameName: 3,4,5-trimethoxy-~{N}-[(~{E})-naphthalen-1-ylmethylideneamino]benzamide

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Chemical information

Composition
Formula: C21H20N2O4 / Number of atoms: 47 / Formula weight: 364.395 / Formal charge: 0
Others

6f7c

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CVT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6F7C
History
Create componentDec 8, 2017
Initial releaseDec 19, 2018
External linksUniChem / ChemSpider / 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 3.385COc1cc(cc(OC)c1OC)C(=O)NN=Cc2cccc3ccccc23
OpenEye OEToolkits 2.0.6COc1cc(cc(c1OC)OC)C(=O)NN=Cc2cccc3c2cccc3

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SMILES CANONICAL

CACTVS 3.385COc1cc(cc(OC)c1OC)C(=O)N\N=C\c2cccc3ccccc23
OpenEye OEToolkits 2.0.6COc1cc(cc(c1OC)OC)C(=O)N/N=C/c2cccc3c2cccc3

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InChI

InChI 1.03InChI=1S/C21H20N2O4/c1-25-18-11-16(12-19(26-2)20(18)27-3)21(24)23-22-13-15-9-6-8-14-7-4-5-10-17(14)15/h4-13H,1-3H3,(H,23,24)/b22-13+

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InChIKey

InChI 1.03MMNQIKXMVWECIH-LPYMAVHISA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.63,4,5-trimethoxy-~{N}-[(~{E})-naphthalen-1-ylmethylideneamino]benzamide

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PDB entries

Showing all 1 items

PDB-6f7c:
TUBULIN-Compound 12 complex

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