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- ChemComp-T8H: 3-cyclopentyl-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohex... -

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Basic information

EntryDatabase: PDB chemical components / ID: T8H
NameName: 3-cyclopentyl-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione

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Chemical information

Composition
Formula: C22H24N2O5 / Number of atoms: 53 / Formula weight: 396.436 / Formal charge: 0
Others

8hym

Type: non-polymer / PDB classification: HETAIN / Three letter code: T8H / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8HYM
History
Create componentApr 20, 2023
Initial releaseDec 20, 2023
External linksUniChem / ChemSpider / SureChEMBL / 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 3.385CN1C(=O)N(C2CCCC2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O
OpenEye OEToolkits 2.0.7Cc1c(ccc2c1C(=O)N(C(=O)N2C)C3CCCC3)C(=O)C4=C(CCCC4=O)O

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SMILES CANONICAL

CACTVS 3.385CN1C(=O)N(C2CCCC2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O
OpenEye OEToolkits 2.0.7Cc1c(ccc2c1C(=O)N(C(=O)N2C)C3CCCC3)C(=O)C4=C(CCCC4=O)O

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InChI

InChI 1.06InChI=1S/C22H24N2O5/c1-12-14(20(27)19-16(25)8-5-9-17(19)26)10-11-15-18(12)21(28)24(22(29)23(15)2)13-6-3-4-7-13/h10-11,13,25H,3-9H2,1-2H3

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InChIKey

InChI 1.06YVNREFSMXACTDF-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8hym:
Crystal structure of AtHPPD-Y18030 complex

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