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- ChemComp-SRQ: 2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene... -

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Basic information

EntryDatabase: PDB chemical components / ID: SRQ
NameName: 2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate

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Chemical information

Composition
Formula: C14H15F2NO3 / Number of atoms: 35 / Formula weight: 283.271 / Formal charge: 0
Others

7b2y

Type: non-polymer / PDB classification: HETAIN / Three letter code: SRQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7B2Y
History
Create componentNov 30, 2020
Initial releaseAug 4, 2021
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385FC(F)COC(=O)CCC(=O)N1CCc2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CCN2C(=O)CCC(=O)OCC(F)F

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SMILES CANONICAL

CACTVS 3.385FC(F)COC(=O)CCC(=O)N1CCc2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CCN2C(=O)CCC(=O)OCC(F)F

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InChI

InChI 1.03InChI=1S/C14H15F2NO3/c15-12(16)9-20-14(19)6-5-13(18)17-8-7-10-3-1-2-4-11(10)17/h1-4,12H,5-9H2

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InChIKey

InChI 1.03ZBGADGOMZKMKIY-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7b2y:
Notum complex with ARUK3003910

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