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Compound Detail

CHEMBL1235805

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COc1ccc(OCCCCCCn2ccnc2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1235805
Phase Preclinical
Structure Type MOL
InChI Key UKVVEWLDHJDSNJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

308.8
MW (Da)
4.18
ALogP
4
HBA
0
HBD
36.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H21ClN2O2
MW 308.81
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.37

Data from ChEMBL 36 via Core Engine