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- ChemComp-L6A: 4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: L6A
NameName: 4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide

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Chemical information

Composition
Formula: C16H14N4O2 / Number of atoms: 36 / Formula weight: 294.308 / Formal charge: 0
Others

8a5x

Type: non-polymer / PDB classification: HETAIN / Three letter code: L6A / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8A5X
History
Create componentJun 20, 2022
Other modificationJun 24, 2022
Modify descriptorAug 22, 2022
Initial releaseOct 5, 2022
External linksUniChem / ChemSpider / PubChem / 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 3.385NC(=O)c1cc2c(N)ncnc2cc1c3cccc(CO)c3
OpenEye OEToolkits 2.0.7c1cc(cc(c1)c2cc3c(cc2C(=O)N)c(ncn3)N)CO

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SMILES CANONICAL

CACTVS 3.385NC(=O)c1cc2c(N)ncnc2cc1c3cccc(CO)c3
OpenEye OEToolkits 2.0.7c1cc(cc(c1)c2cc3c(cc2C(=O)N)c(ncn3)N)CO

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InChI

InChI 1.06InChI=1S/C16H14N4O2/c17-15-13-5-12(16(18)22)11(6-14(13)19-8-20-15)10-3-1-2-9(4-10)7-21/h1-6,8,21H,7H2,(H2,18,22)(H2,17,19,20)

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InChIKey

InChI 1.06UNWGLQGHMTWDJL-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8a5x:
Crystal structure of phosphatidyl inositol 4-kinase II beta in complex with MM1373

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