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Compound Detail

CHEMBL4299781

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NCCOCCOc1cc(/C=C2\Cc3cc(Cl)ccc3C2=O)ccc1O

Basic Information

ChEMBL ID CHEMBL4299781
Phase Preclinical
Structure Type MOL
InChI Key AOKKKOKVJPIFEJ-OQLLNIDSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.8
MW (Da)
3.22
ALogP
5
HBA
2
HBD
81.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20ClNO4
MW 373.84
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.18

Data from ChEMBL 36 via Core Engine