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Compound Detail

CHEMBL2323365

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O=C1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)c3cccc1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2323365
Phase Preclinical
Structure Type MOL
InChI Key RWRWAVMOYCXIQZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.3
MW (Da)
3.92
ALogP
5
HBA
0
HBD
86.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H9NO5
MW 319.27
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
23273520 10.1016/j.bmcl.2012.11.117 Thymidylate synthase 4

Data from ChEMBL 36 via Core Engine