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- ChemComp-L0P: N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihy... -

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Basic information

EntryDatabase: PDB chemical components / ID: L0P
NameName: N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide

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Chemical information

Composition
Formula: C24H20N4O2S / Number of atoms: 51 / Formula weight: 428.506 / Formal charge: 0
Others

6nsp

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: L0P / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6NSP
History
Create componentJan 30, 2019
Initial releaseMay 22, 2019
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

ACDLabs 12.01Cc1cccn2c1nc(c2NC(=O)CN4C(CSc3c4cccc3)=O)c5ccccc5
CACTVS 3.385Cc1cccn2c(NC(=O)CN3C(=O)CSc4ccccc34)c(nc12)c5ccccc5
OpenEye OEToolkits 2.0.7Cc1cccn2c1nc(c2NC(=O)CN3c4ccccc4SCC3=O)c5ccccc5

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SMILES CANONICAL

CACTVS 3.385Cc1cccn2c(NC(=O)CN3C(=O)CSc4ccccc34)c(nc12)c5ccccc5
OpenEye OEToolkits 2.0.7Cc1cccn2c1nc(c2NC(=O)CN3c4ccccc4SCC3=O)c5ccccc5

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InChI

InChI 1.03InChI=1S/C24H20N4O2S/c1-16-8-7-13-27-23(16)26-22(17-9-3-2-4-10-17)24(27)25-20(29)14-28-18-11-5-6-12-19(18)31-15-21(28)30/h2-13H,14-15H2,1H3,(H,25,29)

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InChIKey

InChI 1.03MSTWIUSEUCGNEI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
OpenEye OEToolkits 2.0.7~{N}-(8-methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanamide

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PDB entries

Showing all 1 items

PDB-6nsp:
TRK-A IN COMPLEX WITH LIGAND 9

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