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- ChemComp-MQU: 7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLIN... -

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Basic information

EntryDatabase: PDB chemical components / ID: MQU
NameName: 7-[2-methoxy-1-(methoxymethyl)ethyl]-7H-pyrrolo[3,2-F] quinazoline-1,3-diamine

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Chemical information

Composition
Formula: C15H19N5O2 / Number of atoms: 41 / Formula weight: 301.344 / Formal charge: 0
Others

1m7a

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MQU / Model coordinates PDB-ID: 1M7A
History
Create componentJul 19, 2002
Modify descriptorJun 4, 2011
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 10.04n3c2ccc1c(ccn1C(COC)COC)c2c(nc3N)N
CACTVS 3.341COCC(COC)n1ccc2c1ccc3nc(N)nc(N)c23
OpenEye OEToolkits 1.5.0COCC(COC)n1ccc2c1ccc3c2c(nc(n3)N)N

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SMILES CANONICAL

CACTVS 3.341COCC(COC)n1ccc2c1ccc3nc(N)nc(N)c23
OpenEye OEToolkits 1.5.0COCC(COC)n1ccc2c1ccc3c2c(nc(n3)N)N

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InChI

InChI 1.03InChI=1S/C15H19N5O2/c1-21-7-9(8-22-2)20-6-5-10-12(20)4-3-11-13(10)14(16)19-15(17)18-11/h3-6,9H,7-8H2,1-2H3,(H4,16,17,18,19)

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InChIKey

InChI 1.03MQTGHZCEDQNMOZ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.047-[2-methoxy-1-(methoxymethyl)ethyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
OpenEye OEToolkits 1.5.07-(1,3-dimethoxypropan-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine

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PDB entries

Showing all 1 items

PDB-1m7a:
CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 7-[2-methoxy-1-(methoxymethyl)ethyl]-7H-pyrrolo[3,2-f] quinazoline-1,3-diamine (GW557)

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