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name Structure Reference Source Properties Activities Metabolism

16-Cyclohexyl-12,18-dioxa-16-azapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{14,19}]henicosa-1(13),2(11),4(9),5,7,14(19),20-heptaene-3,10-dione

AlkaPlorer ID: AK561446

Synonym: None

IUPAC Name: 16-cyclohexyl-12,18-dioxa-16-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),20-heptaene-3,10-dione

Structure

SMILES: O=C1C2=CC=CC=C2C(=O)C2=C1OC1=C3CN(C4CCCCC4)COC3=CC=C21

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InChI: InChI=1S/C24H21NO4/c26-21-15-8-4-5-9-16(15)22(27)24-20(21)17-10-11-19-18(23(17)29-24)12-25(13-28-19)14-6-2-1-3-7-14/h4-5,8-11,14H,1-3,6-7,12-13H2

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InChIKey: WPGOJOPOVRDLIT-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 387.4350000000002

TPSA？: 59.75

MolLogP？: 4.692800000000004

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens BJ Activity nan None 10.1016/j.ejmech.2018.11.058
Homo sapiens dsDNA Activity 18.0 % 10.1016/j.ejmech.2018.11.058
Homo sapiens dsDNA Activity nan None 10.1016/j.ejmech.2018.11.058
Homo sapiens dsDNA Tm 76.0 degrees C 10.1016/j.ejmech.2018.11.058
Homo sapiens HeLa MED 2.0 uM 10.1016/j.ejmech.2018.11.058
Homo sapiens quadruplex DNA Activity 70.0 % 10.1016/j.ejmech.2018.11.058
Homo sapiens quadruplex DNA Activity 74.0 % 10.1016/j.ejmech.2018.11.058
Homo sapiens quadruplex DNA Activity 82.0 % 10.1016/j.ejmech.2018.11.058
Homo sapiens quadruplex DNA Activity 86.0 % 10.1016/j.ejmech.2018.11.058
Homo sapiens quadruplex DNA Activity nan None 10.1016/j.ejmech.2018.11.058
Homo sapiens quadruplex DNA Tm 49.0 degrees C 10.1016/j.ejmech.2018.11.058
Homo sapiens quadruplex DNA Tm 90.0 degrees C 10.1016/j.ejmech.2018.11.058
None Unchecked Activity nan None 10.1016/j.ejmech.2018.11.058

Metabolism Information