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- ChemComp-L0M: N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin... -

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Basic information

EntryDatabase: PDB chemical components / ID: L0M
NameName: N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide

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Chemical information

Composition
Formula: C27H21N5O2 / Number of atoms: 55 / Formula weight: 447.488 / Formal charge: 0
Others

6nss

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: L0M / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6NSS
History
Create componentJan 30, 2019
Initial releaseMay 22, 2019
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

ACDLabs 12.01Cc1nccn2c1nc(c2NC(=O)CN4c5ccccc5Oc3c4cccc3)c6ccccc6
CACTVS 3.385Cc1nccn2c(NC(=O)CN3c4ccccc4Oc5ccccc35)c(nc12)c6ccccc6
OpenEye OEToolkits 2.0.7Cc1c2nc(c(n2ccn1)NC(=O)CN3c4ccccc4Oc5c3cccc5)c6ccccc6

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SMILES CANONICAL

CACTVS 3.385Cc1nccn2c(NC(=O)CN3c4ccccc4Oc5ccccc35)c(nc12)c6ccccc6
OpenEye OEToolkits 2.0.7Cc1c2nc(c(n2ccn1)NC(=O)CN3c4ccccc4Oc5c3cccc5)c6ccccc6

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InChI

InChI 1.03InChI=1S/C27H21N5O2/c1-18-26-30-25(19-9-3-2-4-10-19)27(31(26)16-15-28-18)29-24(33)17-32-20-11-5-7-13-22(20)34-23-14-8-6-12-21(23)32/h2-16H,17H2,1H3,(H,29,33)

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InChIKey

InChI 1.03YQDHGEPNDQLBRG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide
OpenEye OEToolkits 2.0.7~{N}-(8-methyl-2-phenyl-imidazo[1,2-a]pyrazin-3-yl)-2-phenoxazin-10-yl-ethanamide

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PDB entries

Showing all 1 items

PDB-6nss:
TRK-A IN COMPLEX WITH LIGAND 6

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