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- ChemComp-UX5: N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-... -

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Basic information

EntryDatabase: PDB chemical components / ID: UX5
NameName: N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
Synonyms: ~{N}-[(4-aminophenyl)methyl]-7-methyl-2-oxidanylidene-1,6-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

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Chemical information

Composition
Formula: C15H15N5O2 / Number of atoms: 37 / Formula weight: 297.312 / Formal charge: 0
Others

7o02
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: UX5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7O02
History
Create componentMar 25, 2021
Initial releaseFeb 15, 2023
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 3.385CC1=C(C=NC2=CC(=O)NN12)C(=O)NCc3ccc(N)cc3
OpenEye OEToolkits 2.0.7CC1=C(C=NC2=CC(=O)NN12)C(=O)NCc3ccc(cc3)N

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SMILES CANONICAL

CACTVS 3.385CC1=C(C=NC2=CC(=O)NN12)C(=O)NCc3ccc(N)cc3
OpenEye OEToolkits 2.0.7CC1=C(C=NC2=CC(=O)NN12)C(=O)NCc3ccc(cc3)N

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InChI

InChI 1.03InChI=1S/C15H15N5O2/c1-9-12(8-17-13-6-14(21)19-20(9)13)15(22)18-7-10-2-4-11(16)5-3-10/h2-6,8H,7,16H2,1H3,(H,18,22)(H,19,21)

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InChIKey

InChI 1.03KOARMAYNUOYQCO-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7r2l:
Human Cyclophilin D in complex with N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

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