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- ChemComp-V0B: N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-py... -

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Basic information

EntryDatabase: PDB chemical components / ID: V0B
NameName: N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide
Synonyms: ~{N}-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide

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Chemical information

Composition
Formula: C18H15N5O2 / Number of atoms: 40 / Formula weight: 333.344 / Formal charge: 0
Others

7o2x

Type: non-polymer / PDB classification: HETAIN / Three letter code: V0B / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7O2X
History
Create componentMar 31, 2021
Initial releaseApr 7, 2021
External linksUniChem / ChemSpider / ChEMBL / PubChem / SureChEMBL / 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 3.385Cc1ccc2nc(CNC(=O)C3=CC(=O)N4C=CC=CC4=N3)cn2c1
OpenEye OEToolkits 2.0.7Cc1ccc2nc(cn2c1)CNC(=O)C3=CC(=O)N4C=CC=CC4=N3

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SMILES CANONICAL

CACTVS 3.385Cc1ccc2nc(CNC(=O)C3=CC(=O)N4C=CC=CC4=N3)cn2c1
OpenEye OEToolkits 2.0.7Cc1ccc2nc(cn2c1)CNC(=O)C3=CC(=O)N4C=CC=CC4=N3

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InChI

InChI 1.03InChI=1S/C18H15N5O2/c1-12-5-6-15-20-13(11-22(15)10-12)9-19-18(25)14-8-17(24)23-7-3-2-4-16(23)21-14/h2-8,10-11H,9H2,1H3,(H,19,25)

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InChIKey

InChI 1.03HGTYDECGVDYGCR-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7o2x:
Crystal structure of the human METTL3-METTL14 complex with compound T180

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