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Compound Detail

CHEMBL2323366

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O=C1/C(=N/c2ccccc2)c2cccc3cccc1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2323366
Phase Preclinical
Structure Type MOL
InChI Key OYZOQOOSEDTSFN-HTXNQAPBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

257.3
MW (Da)
4.16
ALogP
2
HBA
0
HBD
29.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H11NO
MW 257.29
Aromatic Rings 3
Heavy Atoms 20
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