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Compound Detail

CHEMBL2323375

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Nc1ccc2c3c(cccc13)C(=O)OC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2323375
Phase Preclinical
Structure Type MOL
InChI Key QIXHMCMCFSNKOG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

213.2
MW (Da)
1.73
ALogP
4
HBA
1
HBD
69.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H7NO3
MW 213.19
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.37

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