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- ChemComp-L3Z: 8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]no... -

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Basic information

EntryDatabase: PDB chemical components / ID: L3Z
NameName: 8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one

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Chemical information

Composition
Formula: C24H22N4O2 / Number of atoms: 52 / Formula weight: 398.457 / Formal charge: 0
Others

6s9d

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: L3Z / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6S9D
History
Create componentJul 19, 2019
Modify nameJul 30, 2019
Initial releaseNov 20, 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

CACTVS 3.385O=C1Nc2nc3ccccc3n2CCCCCOc4ccccc4c5cc1ccn5
OpenEye OEToolkits 2.0.7c1ccc2c(c1)-c3cc(ccn3)C(=O)Nc4nc5ccccc5n4CCCCCO2

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SMILES CANONICAL

CACTVS 3.385O=C1Nc2nc3ccccc3n2CCCCCOc4ccccc4c5cc1ccn5
OpenEye OEToolkits 2.0.7c1ccc2c(c1)-c3cc(ccn3)C(=O)Nc4nc5ccccc5n4CCCCCO2

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InChI

InChI 1.03InChI=1S/C24H22N4O2/c29-23-17-12-13-25-20(16-17)18-8-2-5-11-22(18)30-15-7-1-6-14-28-21-10-4-3-9-19(21)26-24(28)27-23/h2-5,8-13,16H,1,6-7,14-15H2,(H,26,27,29)

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InChIKey

InChI 1.03HZCFGMWNKNGYOZ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6s9d:
EGFR-KINASE IN COMPLEX WITH COMPOUND 6

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