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- ChemComp-5UU: 6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine -

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Basic information

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

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Chemical information

Composition
Formula: C19H16ClFN2 / Number of atoms: 39 / Formula weight: 326.795 / Formal charge: 0
Others

5f3s
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5UU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5F3S
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)cc1
OpenEye OEToolkits 2.0.4c1cc(ccc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)F

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SMILES CANONICAL

CACTVS 3.385Fc1ccc(Nc2c3CCCCc3nc4cc(Cl)ccc24)cc1
OpenEye OEToolkits 2.0.4c1cc(ccc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)F

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InChI

InChI 1.03InChI=1S/C19H16ClFN2/c20-12-5-10-16-18(11-12)23-17-4-2-1-3-15(17)19(16)22-14-8-6-13(21)7-9-14/h5-11H,1-4H2,(H,22,23)

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InChIKey

InChI 1.03VZSQQJDGFVKQSY-UHFFFAOYSA-N

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SYSTEMATIC NAME

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

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PDB entries

Showing all 1 items

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

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