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Compound Detail

CHEMBL1190144

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COc1cc([C@@H]2c3cc4c(cc3[C@@H](CCN3CCOCC3)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O

Basic Information

ChEMBL ID CHEMBL1190144
Phase Preclinical
Structure Type MOL
InChI Key RYHXUNSAUCPEQT-WOHBCZSASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

497.5
MW (Da)
2.88
ALogP
9
HBA
1
HBD
95.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31NO8
MW 497.54
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 0.65

Data from ChEMBL 36 via Core Engine