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- ChemComp-HZO: 2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one -

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Basic information

EntryDatabase: PDB chemical components / ID: HZO
NameName: 2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one

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Chemical information

Composition
Formula: C19H17NO / Number of atoms: 38 / Formula weight: 275.344 / Formal charge: 0
Others

7e8y
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: HZO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7E8Y
History
Create componentMar 5, 2021
Initial releaseDec 21, 2022
External linksUniChem / ChemSpider / PubChem / PubChem_TPharma / 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)CC(=O)c2cnc3ccc4ccccc4c3c2C1
OpenEye OEToolkits 2.0.7CC1(Cc2c(cnc3c2c4ccccc4cc3)C(=O)C1)C

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SMILES CANONICAL

CACTVS 3.385CC1(C)CC(=O)c2cnc3ccc4ccccc4c3c2C1
OpenEye OEToolkits 2.0.7CC1(Cc2c(cnc3c2c4ccccc4cc3)C(=O)C1)C

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InChI

InChI 1.03InChI=1S/C19H17NO/c1-19(2)9-14-15(17(21)10-19)11-20-16-8-7-12-5-3-4-6-13(12)18(14)16/h3-8,11H,9-10H2,1-2H3

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InChIKey

InChI 1.03VFHPHBGZIZTJDN-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8gwr:
Near full length Kidney type Glutaminase in complex with 2,2-Dimethyl-2,3-Dihydrobenzo[a] Phenanthridin-4(1H)-one (DDP)

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