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- ChemComp-5UX: 6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahy... -

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Basic information

EntryDatabase: PDB chemical components / ID: 5UX
NameName: 6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine

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Chemical information

Composition
Formula: C19H15Cl2FN2 / Number of atoms: 39 / Formula weight: 361.24 / Formal charge: 0
Others

5f3v
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5UX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5F3V
History
Create componentDec 3, 2015
Initial releaseMay 23, 2018
External linksUniChem / ChemSpider / PubChem / 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

CACTVS 3.385Fc1ccc(Nc2c3CCCCc3nc4cc(Cl)ccc24)cc1Cl
OpenEye OEToolkits 2.0.4c1cc(c(cc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)Cl)F

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SMILES CANONICAL

CACTVS 3.385Fc1ccc(Nc2c3CCCCc3nc4cc(Cl)ccc24)cc1Cl
OpenEye OEToolkits 2.0.4c1cc(c(cc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)Cl)F

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InChI

InChI 1.03InChI=1S/C19H15Cl2FN2/c20-11-5-7-14-18(9-11)24-17-4-2-1-3-13(17)19(14)23-12-6-8-16(22)15(21)10-12/h5-10H,1-4H2,(H,23,24)

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InChIKey

InChI 1.03NOLHCVSBSMPRCH-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.46-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine

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PDB entries

Showing all 1 items

PDB-5wfp:
Ligand-bound Ras:SOS:Ras complex

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