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- ChemComp-GFE: 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine -

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Basic information

EntryDatabase: PDB chemical components / ID: GFE
NameName: 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

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Chemical information

Composition
Formula: C11H13Cl2N5 / Number of atoms: 31 / Formula weight: 286.16 / Formal charge: 0
Others

6hnr

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GFE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6HNR
History
Create componentSep 17, 2018
Other modificationSep 20, 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

CACTVS 3.385CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)c(Cl)c2
OpenEye OEToolkits 2.0.6CC1(N=C(N=C(N1c2ccc(c(c2)Cl)Cl)N)N)C

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SMILES CANONICAL

CACTVS 3.385CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)c(Cl)c2
OpenEye OEToolkits 2.0.6CC1(N=C(N=C(N1c2ccc(c(c2)Cl)Cl)N)N)C

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InChI

InChI 1.03InChI=1S/C11H13Cl2N5/c1-11(2)17-9(14)16-10(15)18(11)6-3-4-7(12)8(13)5-6/h3-5H,1-2H3,(H4,14,15,16,17)

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InChIKey

InChI 1.03FPULLBVUFHTKQQ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6hnr:
Trypanosoma brucei PTR1 in complex with the triazine inhibitor 1 (F217)

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