10,22-Dioxokopsane

AlkaPlorer ID: AK296736

Synonym: Kopsan-10,22-dione, 10-Oxokopsanone

IUPAC Name: 5,14-diazaheptacyclo[12.5.3.01,13.04,12.04,18.06,11.012,16]docosa-6,8,10-triene-15,17-dione

Structure

SMILES: O=C1C2CC34CCCN5C(=O)C1C1(C6=CC=CC=C6NC21CC3)C54

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InChI: InChI=1S/C20H20N2O2/c23-15-12-10-18-6-3-9-22-16(24)14(15)20(17(18)22)11-4-1-2-5-13(11)21-19(12,20)8-7-18/h1-2,4-5,12,14,17,21H,3,6-10H2

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InChIKey: CMSYVVVIPSVAIQ-UHFFFAOYSA-N

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Reference

PubChem CID: 73800713

COCONUT: CNP0347724.1

Properties Information

Molecule Weight: 320.3920000000001

TPSA: 49.41

MolLogP: 2.0923

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information