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- ChemComp-BT0: 2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzene... -

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Basic information

EntryDatabase: PDB chemical components / ID: BT0
NameName: 2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide

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Chemical information

Composition
Formula: C19H16N2O4S / Number of atoms: 42 / Formula weight: 368.406 / Formal charge: 0
Others

6jjb

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BT0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6JJB
History
Create componentMar 7, 2019
Initial releaseJan 22, 2020
External linksUniChem / ChemSpider / 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 3.385COc1ccccc1[S](=O)(=O)Nc2ccc3N(C)C(=O)c4cccc2c34
OpenEye OEToolkits 2.0.6CN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4OC

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SMILES CANONICAL

CACTVS 3.385COc1ccccc1[S](=O)(=O)Nc2ccc3N(C)C(=O)c4cccc2c34
OpenEye OEToolkits 2.0.6CN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4OC

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InChI

InChI 1.03InChI=1S/C19H16N2O4S/c1-21-15-11-10-14(12-6-5-7-13(18(12)15)19(21)22)20-26(23,24)17-9-4-3-8-16(17)25-2/h3-11,20H,1-2H3

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InChIKey

InChI 1.03QETWZQZUXAGMTQ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6jjb:
BRD4 in complex with ZZM1

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