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- ChemComp-EO0: 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: EO0
NameName: 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide

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Chemical information

Composition
Formula: C24H24N2O3S / Number of atoms: 54 / Formula weight: 420.524 / Formal charge: 0
Others

6lob

Type: non-polymer / PDB classification: HETAIN / Three letter code: EO0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6LOB
History
Create componentJan 17, 2020
Initial releaseJan 6, 2021
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CCn1c2ccccc2c3cc(ccc13)C(=O)NCc4ccc(cc4)[S](=O)(=O)CC
OpenEye OEToolkits 2.0.7CCn1c2ccccc2c3c1ccc(c3)C(=O)NCc4ccc(cc4)S(=O)(=O)CC

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SMILES CANONICAL

CACTVS 3.385CCn1c2ccccc2c3cc(ccc13)C(=O)NCc4ccc(cc4)[S](=O)(=O)CC
OpenEye OEToolkits 2.0.7CCn1c2ccccc2c3c1ccc(c3)C(=O)NCc4ccc(cc4)S(=O)(=O)CC

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InChI

InChI 1.03InChI=1S/C24H24N2O3S/c1-3-26-22-8-6-5-7-20(22)21-15-18(11-14-23(21)26)24(27)25-16-17-9-12-19(13-10-17)30(28,29)4-2/h5-15H,3-4,16H2,1-2H3,(H,25,27)

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InChIKey

InChI 1.03KZKZVXAMNPTZPQ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6lob:
Crystal structure of RORgammat with ligand C46D bound

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