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- ChemComp-NAZ: N~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-2-YL)AMINO]-3-OXOPROPYL}-N~1~... -

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Basic information

EntryDatabase: PDB chemical components / ID: NAZ
NameName: N~3~-{3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl}-N~1~-[(7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl]-bet
Synonyms: NAPHTYRIDINE-AZAQUINOLONE

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Chemical information

Composition
Formula: C24H25N7O3 / Number of atoms: 59 / Formula weight: 459.5 / Formal charge: 0
Others

1x26

Type: NON-POLYMER / PDB classification: HETAD / Three letter code: NAZ / Model coordinates PDB-ID: 1X26
History
Create componentApr 25, 2005
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 10.04O=C(Nc1nc2nc(ccc2cc1)C)CCNCCC(=O)NCc4nc3c(C=CC(=O)N3)cc4
CACTVS 3.341Cc1ccc2ccc(NC(=O)CCNCCC(=O)NCc3ccc4C=CC(=O)Nc4n3)nc2n1
OpenEye OEToolkits 1.5.0Cc1ccc2ccc(nc2n1)NC(=O)CCNCCC(=O)NCc3ccc4c(n3)NC(=O)C=C4

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SMILES CANONICAL

CACTVS 3.341Cc1ccc2ccc(NC(=O)CCNCCC(=O)NCc3ccc4C=CC(=O)Nc4n3)nc2n1
OpenEye OEToolkits 1.5.0Cc1ccc2ccc(nc2n1)NC(=O)CCNCCC(=O)NCc3ccc4c(n3)NC(=O)C=C4

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InChI

InChI 1.03InChI=1S/C24H25N7O3/c1-15-2-3-16-5-8-19(30-23(16)27-15)29-22(34)11-13-25-12-10-20(32)26-14-18-7-4-17-6-9-21(33)31-24(17)28-18/h2-9,25H,10-14H2,1H3,(H,26,32)(H,28,31,33)(H,27,29,30,34)

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InChIKey

InChI 1.03BWINWCKASXYPFA-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-({3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl}amino)-N-[(7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl]propanamide (non-preferred name)
OpenEye OEToolkits 1.5.03-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxo-propyl]amino]-N-[(7-oxo-8H-1,8-naphthyridin-2-yl)methyl]propanamide

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PDB entries

Showing all 1 items

PDB-1x26:
Solution structure of the AA-mismatch DNA complexed with naphthyridine-azaquinolone

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