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Compound Detail

CHEMBL364020

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CCCCCOC(=O)CCCNC(=O)Oc1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL364020
Phase Preclinical
Structure Type MOL
InChI Key BUFAWTGOTGWIEZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.8
MW (Da)
3.94
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22ClNO4
MW 327.81
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
15887969 10.1021/jm0500929 Bifunctional epoxide hydrolase 2 2

Data from ChEMBL 36 via Core Engine