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- ChemComp-ZVO: 5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: ZVO
NameName: 5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine

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Chemical information

Composition
Formula: C8H8N6 / Number of atoms: 22 / Formula weight: 188.189 / Formal charge: 0
Others

5aqh

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ZVO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5AQH
History
Create componentSep 22, 2015
Initial releaseOct 5, 2016
External linksUniChem / ChemSpider / PubChem / 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 3.385CN1N=C(N)c2c[nH]c3ncnc1c23
OpenEye OEToolkits 1.7.6CN1c2c3c(c[nH]c3ncn2)C(=N1)N

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SMILES CANONICAL

CACTVS 3.385CN1N=C(N)c2c[nH]c3ncnc1c23
OpenEye OEToolkits 1.7.6CN1c2c3c(c[nH]c3ncn2)C(=N1)N

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InChI

InChI 1.03InChI=1S/C8H8N6/c1-14-8-5-4(6(9)13-14)2-10-7(5)11-3-12-8/h2-3H,1H3,(H2,9,13)(H,10,11,12)

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InChIKey

InChI 1.03AJJBAXSCYXENBJ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-5aqh:
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues

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