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- ChemComp-JOB: 5-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindo... -

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Basic information

EntryDatabase: PDB chemical components / ID: JOB
NameName: 5-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione

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Chemical information

Composition
Formula: C12H9N3O4 / Number of atoms: 28 / Formula weight: 259.218 / Formal charge: 0
Others

6r11

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JOB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6R11
History
Create componentMar 13, 2019
Initial releaseAug 7, 2019
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 3.385Nc1ccc2C(=O)N([CH]3CC(=O)NC3=O)C(=O)c2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1N)C(=O)N(C2=O)C3CC(=O)NC3=O

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SMILES CANONICAL

CACTVS 3.385Nc1ccc2C(=O)N([C@H]3CC(=O)NC3=O)C(=O)c2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O

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InChI

InChI 1.03InChI=1S/C12H9N3O4/c13-5-1-2-6-7(3-5)12(19)15(11(6)18)8-4-9(16)14-10(8)17/h1-3,8H,4,13H2,(H,14,16,17)/t8-/m0/s1

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InChIKey

InChI 1.03ZQAUOFWDVHCTPN-QMMMGPOBSA-N

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PDB entries

Showing all 1 items

PDB-6r11:
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 5b

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