Molecule

None

AlkaPlorer ID: AK589079

Synonym: None

IUPAC Name: None

Structure

SMILES: O=C1CN2CCN(C(=O)NC3=CC=C(F)C(F)=C3)CC2COC2=CC=C(C3=CC=CN=C3)C=C2N1

InChI: InChI=1S/C25H23F2N5O3/c26-20-5-4-18(11-21(20)27)29-25(34)32-9-8-31-14-24(33)30-22-10-16(17-2-1-7-28-12-17)3-6-23(22)35-15-19(31)13-32/h1-7,10-12,19H,8-9,13-15H2,(H,29,34)(H,30,33)

InChIKey: ZCHQIOISUHWXTD-UHFFFAOYSA-N

Reference

Direct cell-to-cell exchange of matter in a synthetic Clostridium syntrophy enables CO2 fixation, superior metabolite yields, and an expanded metabolic space

The human cerebrospinal fluid metabolome

The Human Serum Metabolome

SPE–NMR metabolite sub-profiling of urine

A review of the volatiles from the healthy human body

Development of a screening method to determine the pattern of fermentation metabolites in faecal samples using on-line purge-and-trap gas chromatographic–mass spectrometric analysis

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 479.4870000000002

TPSA？: 86.80000000000001

MolLogP？: 3.5760000000000023

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi