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- ChemComp-UYF: (4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-d... -

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Basic information

EntryDatabase: PDB chemical components / ID: UYF
NameName: (4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol

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Chemical information

Composition
Formula: C14H18F2O4S2 / Number of atoms: 40 / Formula weight: 352.417 / Formal charge: 0
Others

8ck8

Type: non-polymer / PDB classification: HETAIN / Three letter code: UYF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8CK8
History
Create componentFeb 15, 2023
Initial releaseJul 19, 2023
External linksUniChem / ChemSpider / PubChem / 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 3.385C[S](=O)(=O)c1sc(OC2CCCCC2)c3CC(F)(F)[CH](O)c13
OpenEye OEToolkits 2.0.7CS(=O)(=O)c1c2c(c(s1)OC3CCCCC3)CC(C2O)(F)F

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SMILES CANONICAL

CACTVS 3.385C[S](=O)(=O)c1sc(OC2CCCCC2)c3CC(F)(F)[C@@H](O)c13
OpenEye OEToolkits 2.0.7CS(=O)(=O)c1c2c(c(s1)OC3CCCCC3)CC([C@H]2O)(F)F

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InChI

InChI 1.06InChI=1S/C14H18F2O4S2/c1-22(18,19)13-10-9(7-14(15,16)11(10)17)12(21-13)20-8-5-3-2-4-6-8/h8,11,17H,2-7H2,1H3/t11-/m0/s1

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InChIKey

InChI 1.06VVRLYNNVBDMZCH-NSHDSACASA-N

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PDB entries

Showing all 1 items

PDB-8ck8:
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-Cyclohexyloxy-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol

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