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- ChemComp-6SD: 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: 6SD
NameName: 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine

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Chemical information

Composition
Formula: C10H11N3O / Number of atoms: 25 / Formula weight: 189.214 / Formal charge: 0
Others

5kgk

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6SD / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5KGK
History
Create componentJun 14, 2016
Initial releaseAug 9, 2017
External linksUniChem / ChemSpider / Brenda / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 3.385COc1ccc(cc1)c2cc(N)[nH]n2
OpenEye OEToolkits 2.0.5COc1ccc(cc1)c2cc([nH]n2)N

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SMILES CANONICAL

CACTVS 3.385COc1ccc(cc1)c2cc(N)[nH]n2
OpenEye OEToolkits 2.0.5COc1ccc(cc1)c2cc([nH]n2)N

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InChI

InChI 1.03InChI=1S/C10H11N3O/c1-14-8-4-2-7(3-5-8)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13)

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InChIKey

InChI 1.03UPAGEJODHNVJNM-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.53-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine

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PDB entries

Showing all 3 items

PDB-5kgk:
Crystal structure of PIM1 with inhibitor: 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine

PDB-6qot:
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 23 (3-Amino-5-(4-methoxyphenyl)pyrazole)

PDB-7a4z:
Structure of DYRK1A in complex with compound 4

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