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Compound Detail

CHEMBL4596591

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O=C(O)c1ccc(OCCCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596591
Phase Preclinical
Structure Type MOL
InChI Key KJIYQOZPPFQTMT-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

611.8
MW (Da)
9.14
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.08
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H48O4P+
MW 611.78
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness 0.06

Data from ChEMBL 36 via Core Engine