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- ChemComp-95L: 4-amino-6-fluoroquinoline-3-carbohydrazide -

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Basic information

EntryDatabase: PDB chemical components / ID: 95L
NameName: 4-amino-6-fluoroquinoline-3-carbohydrazide

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Chemical information

Composition
Formula: C10H9FN4O / Number of atoms: 25 / Formula weight: 220.203 / Formal charge: 0
Others

5yzs
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 95L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5YZS
History
Create componentDec 22, 2017
Initial releaseOct 28, 2020
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

ACDLabs 12.01NNC(=O)c2cnc1ccc(cc1c2N)F
CACTVS 3.385NNC(=O)c1cnc2ccc(F)cc2c1N
OpenEye OEToolkits 2.0.6c1cc2c(cc1F)c(c(cn2)C(=O)NN)N

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SMILES CANONICAL

CACTVS 3.385NNC(=O)c1cnc2ccc(F)cc2c1N
OpenEye OEToolkits 2.0.6c1cc2c(cc1F)c(c(cn2)C(=O)NN)N

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InChI

InChI 1.03InChI=1S/C10H9FN4O/c11-5-1-2-8-6(3-5)9(12)7(4-14-8)10(16)15-13/h1-4H,13H2,(H2,12,14)(H,15,16)

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InChIKey

InChI 1.03AJDQMOZVNBPAQN-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-amino-6-fluoroquinoline-3-carbohydrazide
OpenEye OEToolkits 2.0.64-azanyl-6-fluoranyl-quinoline-3-carbohydrazide

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PDB entries

Showing all 1 items

PDB-6jvh:
Crystal structure of human MTH1 in complex with compound MI0320

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