None

AlkaPlorer ID: AK488321

Synonym: None

IUPAC Name: 12,16,19,29-tetrazaoctacyclo[15.13.1.118,22.01,10.03,8.013,31.023,28.030,32]dotriaconta-3,5,7,13(31),16,18,20,22(32),23,25,27,29-dodecaen-9-one

Structure

SMILES: O=C1C2=CC=CC=C2CC23C4=C(NCCC4=NCC12)C1=C2C3=NC3=CC=CC=C3C2=CC=N1

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InChI: InChI=1S/C28H20N4O/c33-26-16-6-2-1-5-15(16)13-28-19(26)14-31-21-10-12-30-25(23(21)28)24-22-18(9-11-29-24)17-7-3-4-8-20(17)32-27(22)28/h1-9,11,19,30H,10,12-14H2

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InChIKey: PGWPQBKCTVOMEI-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 428.4950000000001

TPSA: 67.24000000000001

MolLogP: 4.248600000000003

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information