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- ChemComp-UYT: [azanyl-[(2E)-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium -

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Basic information

EntryDatabase: PDB chemical components / ID: UYT
NameName: [azanyl-[(2E)-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium
Synonyms: Diaminomethylidene-[(Z)-1-phenylethylideneamino]azanium; 7377553

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Chemical information

Composition
Formula: C9H13N4 / Number of atoms: 26 / Formula weight: 177.226 / Formal charge: 1
Others

7o20

Type: non-polymer / PDB classification: HETAIN / Three letter code: UYT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7O20
History
Create componentMar 30, 2021
Modify chargeApr 9, 2021
Initial releaseSep 1, 2021
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 3.385CC(=NNC(N)=[NH2+])c1ccccc1
OpenEye OEToolkits 2.0.7CC(=NNC(=[NH2+])N)c1ccccc1

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SMILES CANONICAL

CACTVS 3.385C\C(=N/NC(N)=[NH2+])c1ccccc1
OpenEye OEToolkits 2.0.7C/C(=N\NC(=[NH2+])N)/c1ccccc1

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InChI

InChI 1.03InChI=1S/C9H12N4/c1-7(12-13-9(10)11)8-5-3-2-4-6-8/h2-6H,1H3,(H4,10,11,13)/p+1/b12-7+

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InChIKey

InChI 1.03MRKZNCISKCWGLP-KPKJPENVSA-O

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PDB entries

Showing all 1 items

PDB-7o20:
X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 3 (mi300)

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