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- ChemComp-ONC: 7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2... -

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Basic information

EntryDatabase: PDB chemical components / ID: ONC
NameName: 7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one

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Chemical information

Composition
Formula: C24H24N4O / Number of atoms: 53 / Formula weight: 384.474 / Formal charge: 0
Others

6dl7

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ONC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6DL7
History
Create componentJun 3, 2018
Initial releaseMay 8, 2019
External linksUniChem / ChemSpider / 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 12.01Cc1c(cccc1)CN4C(C=2CN(CCC=2n3c4ncc3)Cc5ccccc5)=O
CACTVS 3.385Cc1ccccc1CN2C(=O)C3=C(CCN(Cc4ccccc4)C3)n5ccnc25
OpenEye OEToolkits 2.0.6Cc1ccccc1CN2c3nccn3C4=C(C2=O)CN(CC4)Cc5ccccc5

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SMILES CANONICAL

CACTVS 3.385Cc1ccccc1CN2C(=O)C3=C(CCN(Cc4ccccc4)C3)n5ccnc25
OpenEye OEToolkits 2.0.6Cc1ccccc1CN2c3nccn3C4=C(C2=O)CN(CC4)Cc5ccccc5

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InChI

InChI 1.03InChI=1S/C24H24N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10,12,14H,11,13,15-17H2,1H3

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InChIKey

InChI 1.03AWBSLIQRVCVMFU-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.017-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one
OpenEye OEToolkits 2.0.67-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5-trien-8-one

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PDB entries

Showing all 1 items

PDB-6dl7:
Human mitochondrial ClpP in complex with ONC201 (TIC10)

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