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- ChemComp-FFS: N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine -

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Basic information

EntryDatabase: PDB chemical components / ID: FFS
NameName: N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine

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Chemical information

Composition
Formula: C19H15ClN4O / Number of atoms: 40 / Formula weight: 350.802 / Formal charge: 0
Others

6cuo

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FFS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6CUO
History
Create componentMar 28, 2018
Initial releaseFeb 6, 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 12.01n2c(NCc1ccco1)c4ccccc4nc2Nc3cccc(c3)Cl
CACTVS 3.385Clc1cccc(Nc2nc(NCc3occc3)c4ccccc4n2)c1
OpenEye OEToolkits 2.0.6c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)Cl)NCc4ccco4

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SMILES CANONICAL

CACTVS 3.385Clc1cccc(Nc2nc(NCc3occc3)c4ccccc4n2)c1
OpenEye OEToolkits 2.0.6c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)Cl)NCc4ccco4

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InChI

InChI 1.03InChI=1S/C19H15ClN4O/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15/h1-11H,12H2,(H2,21,22,23,24)

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InChIKey

InChI 1.03KLRNKMZSARWWTH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine
OpenEye OEToolkits 2.0.6~{N}2-(3-chlorophenyl)-~{N}4-(furan-2-ylmethyl)quinazoline-2,4-diamine

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PDB entries

Showing all 1 items

PDB-6cuo:
Ras:SOS:Ras in complex with a small molecule activator

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